AG00AOO4

16561-29-8 | Tetradecanoic acid, (1aR,​1bS,​4aR,​7aS,​7bS,​8R,​9R,​9aS)​-​9a-​(acetyloxy)​-​1a,​1b,​4,​4a,​5,​7a,​7b,​8,​9,​9a-​decahydro-​4a,​7b-​dihydroxy-​3-​(hydroxymethyl)​-​1,​1,​6,​8-​tetramethyl-​5-​oxo-​1H-​cyclopropa[3,​4]​benz[1,​2-​e]​azulen-​9-​yl ester

AG00AOO4

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CAS Number	16561-29-8
Catalog Number	AG00AOO4(AGN-PC-0Q8RXO)
Chemical Name	Tetradecanoic acid, (1aR,​1bS,​4aR,​7aS,​7bS,​8R,​9R,​9aS)​-​9a-​(acetyloxy)​-​1a,​1b,​4,​4a,​5,​7a,​7b,​8,​9,​9a-​decahydro-​4a,​7b-​dihydroxy-​3-​(hydroxymethyl)​-​1,​1,​6,​8-​tetramethyl-​5-​oxo-​1H-​cyclopropa[3,​4]​benz[1,​2-​e]​azulen-​9-​yl ester
EC Number	605-413-5
IUPAC Name	[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate
InChI	InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1
InChI Key	PHEDXBVPIONUQT-RGYGYFBISA-N
MDL Number	MFCD00036736
Molecular Formula	C36H56O8
Molecular Weight	616.8250
SMILES	O(C(=O)C)[C@@]12[C@@H](C1(C)C)[C@H]1[C@@]([C@@H]([C@H]2OC(=O)CCCCCCCCCCCCC)C)(O)[C@H]2[C@@](CC(=C1)CO)(O)C(=O)C(=C2)C
UNII	NI40JAQ945
Synonyms	12 Myristoyl 13 acetylphorbol, 12 O Tetradecanoyl Phorbol 13 Acetate, 12-Myristoyl-13-acetylphorbol, 12-O-Tetradecanoyl Phorbol 13-Acetate, 13-Acetate, 12-O-Tetradecanoyl Phorbol, Acetate, Phorbol Myristate, Acetate, Tetradecanoylphorbol, Myristate Acetate, Phorbol, Phorbol 13-Acetate, 12-O-Tetradecanoyl, Phorbol Myristate Acetate, Tetradecanoylphorbol Acetate, Tetradecanoylphorbol Acetate, 4a alpha Isomer, Tetradecanoylphorbol Acetate, 4a alpha-Isomer, Phorbol 12-myristate 13-acetate, 16561-29-8, 12-O-Tetradecanoylphorbol 13-acetate, Factor A1, 12-O-Tetradecanoylphorbol-13-acetate, Phorbol myristate acetate, phorbol-12-myristate-13-acetate, Factor A1 (croton oil), phorbol 13-acetate 12-myristate, PMA, 12-Tetradecanoylphorbol 13-acetate, Phorbol ester, UNII-NI40JAQ945, Phorbol 12-tetradecanoate 13-acetate, CCRIS 716, HSDB 3542, Tetradecanoylphorbol acetate, MFCD00036736, beta-Phorbol 12-myristate 13-acetate, 4beta-Phorbol 12-myristate 13-acetate, PMA (tumor promoter), CHEMBL279115, NI40JAQ945, TPA (phorbol derivative), CHEBI:37537, Phorbol monoacetate monomyristate, 13-O-Acetylphorbol 12-myristate, 12-O-Tetradecanoyl phorbol acetate, NSC 262244, 12-Tetradecanoylphorbol 13-monoacetate, 12-o-Tetradekanoylphorbol-13-acetat, Phorbol 12-myristate 13-acetate, 97%, Pentahydroxy-tigliadienone-monoacetate(c)monomyristate(b), 12-o-tetradecanoyl phorbol-13-acetate, yristate, NSC626496, tetradecanoyl-beta-phorbol acetate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-myristate, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9, 9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aa,1bb,4ab,7aa,7ba, 8a,9b,9aa))-, 12-o-tetradecanoyl-phorbol-13-acetate, SpecPlus_000801, Spectrum2_001911, Spectrum4_000889, Spectrum5_001855, MolMap_000041, UPCMLD-DP069, AC1L1E8S, BIDD:PXR0145, CBiol_002014, BSPBio_001024, KBioGR_000364, KBioGR_001298, KBioSS_000364, SPECTRUM330004, DivK1c_006897, SCHEMBL115567, SPBio_001902, 1H-Cyclopropa[3,4]benz[1,2-e]azulene, tetradecanoic acid deriv., GTPL2341, [acetoxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] tetradecanoate, DTXSID5023798, UPCMLD-DP069:001, UPCMLD-DP069:002, BCBcMAP01_000182, CTK8G2455, KBio1_001841, KBio2_000364, KBio2_002932, KBio2_005500, KBio3_000707, KBio3_000708, PHEDXBVPIONUQT-RGYGYFBISA-N, Bio1_000300, Bio1_000789, Bio1_001278, Bio2_000352, Bio2_000832, HMS1362D05, HMS1792D05, HMS1990D05, HMS3403D05, Phorbol 13 Acetate 12 Myristate, 4beta,9alpha,12beta,13alpha,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate, KS-000019CJ, ZINC8214783, BDBM50099066, CCG-39863, NSC262244, NSC262644, AKOS024418767, CS-6053, FS-4842, LMPR0104330002, NSC-262644, NSC-626496, IDI1_002107, NCGC00161633-01, NCGC00161633-04, NCGC00161633-05, 4-.beta.-Phorbol 12-myristate 13-OAc, HY-18739, Phorbol 12-myristate 13-acetate (PMA), Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, 12-o-tetradecanoylphorbol-13-acetate (tpa), N2060, P1585, PHORBOL-12-TETRADECANOYL-13-ACETATE, V0265, C05151, 13906-EP2270001A1, 13906-EP2277848A1, 13906-EP2305825A1, 13906-EP2316836A1, 4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha)]-, W-201494, BRD-K68552125-001-03-8, BRD-K68552125-001-04-6, I14-85837, Phorbol 12-myristate 13-acetate, synthetic, >=98.0% (TLC), PMA, for use in molecular biology applications, >=99% (TLC), Phorbol 12-myristate 13-acetate, >=99% (TLC), film or powder, 4|A,9|A,12|A,13|A,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a- (Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl tetradecanoate, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate, (1AR,1bS,4aR,7aS,7bS,8R,9R,9aS);-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl);-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate, (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl tetradecanoate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-acetate 9-m, Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5, tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aalpha,1bbeta,, Tetradisant-[[4-(1, 1-oxideomega.-[2-(dodecylthio)ethoxy]-,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, mixt. with denatured calf thymus DNAA, (2S-cis)-, compd. with sulfinylbis[methane] (2:1)2S-cis)-1:9), -yl ester, Phosphomolybdic acid, Phorbol-myristate acetate, Phorbol acetate, myristate, Acetate, Phorbol Myristate, D09DHT, Myristate Acetate, Phorbol, 13-Tetradecanoylphorbol acetate, Acetate, Tetradecanoylphorbol, Phorbol-12-myristate 13-acetate, 12 Myristoyl 13 acetylphorbol, 12-Myristoyl-13-acetylphorbol, 12-Tetradecanoylphorbol-13-acetate, C36H56O8, CID27924, 4beta-Phorbol-12-myristate-13-acetate, BRN 2407201, -one 9a-acetate, (+)- (8CI), NA2811, UN2811, TPA, ACN-047461, C36-H56-O8, 12 O Tetradecanoyl Phorbol 13 Acetate, 12-O-Tetradecanoyl Phorbol 13-Acetate, Phorbol 12-myristate 13-acetate diester, 13-Acetate, 12-O-Tetradecanoyl Phorbol, Phorbol 13-Acetate, 12-O-Tetradecanoyl, 12-O-Tetradekanoylphorbol-13-acetat [German], P1484, Tetradecanoylphorbol Acetate, 4a alpha Isomer, Tetradecanoylphorbol Acetate, 4a alpha-Isomer, D013755, Phorbol 12-myristate 13-acetate, 98% - 1MG 1mg, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-, Myristic acid, 9-ester with 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9a-acetate, (+)-, 4?,9?,12?,13?,20-Pentahydroxytiglia-1,6-dien-3-one 12-tetradecanoate 13-acetate, 51429-74-4, 951654-29-8, Myristic acid, 9-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9a-acetate, Myristic acid, 9-ester with 1,1a.alpha.,1b.beta.,4,4a,7a.alpha.,7b,8,9,9a-decahydro-4a.beta.,7b.alpha.,9.beta.,9a.alpha.-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8.alpha.-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 9a-acetate, ()-, Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.)]-,

Complexity	1150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	616.398g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	616.836g/mol
Monoisotopic Mass	616.398g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number