AG005C7G

75330-75-5 | Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-

AG005C7G

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CAS Number	75330-75-5
Catalog Number	AG005C7G(AGN-PC-0U72OD)
Chemical Name	Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-
EC Number	616-212-7
IUPAC Name	[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
InChI	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
InChI Key	PCZOHLXUXFIOCF-BXMDZJJMSA-N
MDL Number	MFCD00072164
Molecular Formula	C24H36O5
Molecular Weight	404.5396
SMILES	C[C@H](C(=O)O[C@H]1C[C@H](C=C2C=C[C@@H]([C@@H]([C@@H]12)CC[C@H]1OC(C[C@@H](C1)O)=O)C)C)CC
UNII	9LHU78OQFD
Synonyms	1 alpha-Isomer Lovastatin, 6 Methylcompactin, 6-Methylcompactin, alpha-Isomer Lovastatin, 1, Lovastatin, Lovastatin, (1 alpha(S*))-Isomer, Lovastatin, 1 alpha Isomer, Lovastatin, 1 alpha-Isomer, Mevacor, Mevinolin, MK 803, MK-803, MK803, Monacolin K, lovastatin, 75330-75-5, mevinolin, Mevacor, Lovalip, Monacolin K, Altoprev, Lovalord, Mevinacor, Nergadan, Altocor, Artein, MK-803, 6alpha-Methylcompactin, Hipovastin, Lovastatine, Lovasterol, Cholestra, Closterol, Colevix, Hipolip, Lestatin, Lipivas, Lipofren, Lozutin, Paschol, Rodatin, Rovacor, Tecnolip, Teroltrat, Belvas, Lipdip, Mevlor, Sivlor, Taucor, Lovastatine [French], Lovastatinum [Latin], Lovastatina [Spanish], 6-alpha-Methylcompactin, Lovastatinum, Lovastatina, Lovastin, MSD 803, MK 803, 6 alpha-Methylcompactin, UNII-9LHU78OQFD, MLS000069585, HSDB 6534, MFCD00072164, 9LHU78OQFD, BRN 3631989, SMR000058779, (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate, CHEBI:40303, 2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone, C24H36O5, Lovastatin, 98%, Lovastatin (Mevacor), (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate, NCGC00023509-03, DSSTox_CID_784, EN300-52515, 6-Methylcompactin, DSSTox_RID_75788, DSSTox_GSID_20784, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-2-Methylbutanoic acid 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate, 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-lactone, Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-, butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-, Liposcler, Rextat, Monakolin K, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate, Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-, CPD000673570, Mevacor (TN), Lovastatin [USAN:BAN:INN], CHEMBL503, Lovastatin & Primycin, Lovastatin (USP/INN), SR-05000001880, (S)-2-Methylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one, CCRIS 8092, lovastatin-mevacor, 1cqp, Lovastatin,(S), ML-530B, Lovastatin [USAN:USP:INN:BAN], (+)-mevinolin, (S)-((1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate, [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate, Prestwick_819, CAS-75330-75-5, Lovastatin [USAN], Lovastatin (Mevinolin), Opera_ID_1578, Prestwick0_000516, Prestwick1_000516, Prestwick2_000516, Prestwick3_000516, Spectrum3_001873, Spectrum5_001294, Lovastatin (MK-803), EC 616-212-7, AC1L1EI6, AC1Q2C7T, SCHEMBL3136, US9115116, lovastatin, BIDD:PXR0113, BSPBio_000471, BSPBio_001265, BSPBio_003346, cid_53232, KSC377A8D, MLS001055358, MLS006011867, US9353061, Lovastatina, ARONIS24208, BIDD:GT0749, DivK1c_001032, SPECTRUM1503977, L-154803, SPBio_002392, BPBio1_000519, GTPL2739, MEGxm0_000398, DTXSID5020784, SCHEMBL14227102, ACon0_000534, ACon1_000390, BDBM34168, CTK2H7081, HMS503O05, KBio1_001032, KBio3_002848, AOB5269, NINDS_001032, PCZOHLXUXFIOCF-BXMDZJJMSA-N, HMS1569H13, HMS1792O07, HMS1923O13, HMS1990O07, HMS2089M06, HMS2093O03, HMS2096H13, HMS2236F07, HMS3039N16, HMS3259F10, HMS3268C03, HMS3403O07, HMS3676H19, HMS3713H13, Pharmakon1600-01503977, (S)-((1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-HYDROXY-6-OXO-TETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL) 2-METHYLBUTANOATE, 2-Methyl-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester butanoic acid, ACT02620, ALBB-027272, BB_NC-01457, Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (2S)-, HY-N0504, MK-803; LOVALIP; MEVACOR, ZINC3812841, Tox21_110888, Tox21_201475, Tox21_300268, ANW-41686, BBL024473, BG0243, CCG-39627, NSC633781, NSC758662, s2061, SBB080686, STK801953, AKOS005267139, Tox21_110888_1, CS-1990, DB00227, EBD2126857, KS-1082, MCULE-4740518260, MCULE-7087866108, Mevinolin from Aspergillus sp., powder, NC00713, NSC-633781, NSC-758662, RTR-031803, IDI1_001032, NCGC00023509-04, NCGC00023509-05, NCGC00023509-06, NCGC00023509-07, NCGC00023509-08, NCGC00023509-09, NCGC00023509-10, NCGC00023509-11, NCGC00023509-13, NCGC00023509-14, NCGC00023509-16, NCGC00254157-01, NCGC00259026-01, 74133-25-8, AC-13961, CC-30040, CC-30041, CJ-10768, G226, LS-46359, SAM002589904, SAM002589963, SC-11968, SMR000673570, SBI-0051881.P002, AB0108514, L0214, N1632, C07074, D00359, J10136, S-7779, 28048-EP2269989A1, 28048-EP2270011A1, 28048-EP2272825A2, 28048-EP2272841A1, 28048-EP2277507A1, 28048-EP2277865A1, 28048-EP2280006A1, 28048-EP2281813A1, 28048-EP2284158A1, 28048-EP2286795A1, 28048-EP2287165A2, 28048-EP2287166A2, 28048-EP2289892A1, 28048-EP2292620A2, 28048-EP2295406A1, 28048-EP2295409A1, 28048-EP2298742A1, 28048-EP2298745A1, 28048-EP2298772A1, 28048-EP2298776A1, 28048-EP2298779A1, 28048-EP2301923A1, 28048-EP2301931A1, 28048-EP2301936A1, 28048-EP2305648A1, 28048-EP2308839A1, 28048-EP2311808A1, 28048-EP2311829A1, 28048-EP2314588A1, 96638-EP2287163A1, 96638-EP2305678A1, AB00052400-17, AB00052400_18, AB00052400_19, Mevinolin from Aspergillus sp., >=98% (HPLC), 117141-EP2272825A2, 117141-EP2298776A1, 330L755, A838030, C-21799, SR-01000000123, I06-1876, SR-01000000123-3, SR-05000001880-1, SR-05000001880-2, BRD-K09416995-001-06-8, BRD-K09416995-001-21-7, Z1258578375, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-8-(2-((4R,6R)-4-hydroxy-2-oxo-2H-pyran-6-yl)ethyl)-3,7-dimethylnaphtyl(S)-2-methylbutyrat, (2S)-(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl-2-methyl butanoate, (2S)-2-Methylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-2-methylbutanoic acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester, (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-((3R,5R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl ester, [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate, 1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate, 8-[2-((2R,4R)-4-hydroxy-6-oxo(2H-3,4,5-trihydropyran-2-yl))ethyl](1S,7S,8S,3R, 8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthyl (2S)-2-methylbutanoate, Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-- oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta))-, Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1-alpha-(R*),3-alpha,7-beta,8-beta-(2S*,4S*),8a-beta))-, Butanoic acid, 2-methyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester,(1S-(1alpha(R*),3alpha,7beta,8beta(2S*,4S*),8abeta)), lostatin, Advicor, 6 Methylcompactin, lovastatin lactone, Altoprev (TN), Statosan (TN), Advicor (TN), Altocor (TN), Lovastatin, 97% 5g, 1 alpha-Isomer Lovastatin, D06WTZ, alpha-Isomer Lovastatin, 1, Lovastatin, 1 alpha Isomer, Lovastatin, 1 alpha-Isomer, Lovastatin [USAN:INN:BAN], Mevinolin from Aspergillus sp., MK803, Lovastatin, (1 alpha(S*))-Isomer, CID53232, ACN-057049, C24-H36-O5, CS-O-05971, Lovastatin, 97% - 100MG 100mg, A4365, H0143, D008148, Lovastatin, 1 alpha-Isomer (without R*/S* notation), Lovastatin, 98%, an inhibitor of HMG-CoA reductase - 1G 1g, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxooxan-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate, 8-[2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2-methylbutanoate,

Complexity	666
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	404.256g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	404.547g/mol
Monoisotopic Mass	404.256g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H350-H360
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number