AG007DUB

Name: (2'R,4aS,4bR,5aR,6aS,9aS,9bR,10R)-Methyl 4a,6a-dimethyl-2,4'-dioxo-3,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-2H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate
Brand: Angene Chemical
SKU: AG007DUB

107724-20-9 | (2'R,4aS,4bR,5aR,6aS,9aS,9bR,10R)-Methyl 4a,6a-dimethyl-2,4'-dioxo-3,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-2H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate

Chemical structure of (2'R,4aS,4bR,5aR,6aS,9aS,9bR,10R)-Methyl 4a,6a-dimethyl-2,4'-dioxo-3,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-2H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate, CAS 107724-20-9

AG007DUB

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CAS Number	107724-20-9
Catalog Number	AG007DUB(AGN-PC-0OXLAL)
Chemical Name	(2'R,4aS,4bR,5aR,6aS,9aS,9bR,10R)-Methyl 4a,6a-dimethyl-2,4'-dioxo-3,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-2H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate
EC Number	600-850-8
IUPAC Name	methyl (1R,2S,9R,10R,11S,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
InChI	InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
InChI Key	JUKPWJGBANNWMW-VWBFHTRKSA-N
MDL Number	MFCD07783647
Molecular Formula	C24H30O6
Molecular Weight	414.4914
SMILES	O=C([C@@H]1CC([C@]([C@]23[C@](C[C@@]([C@@]4(OCC(C4)=O)CC5)(C)[C@]5([H])[C@]13[H])([H])O2)(C)CC6)=CC6=O)OC
UNII	6995V82D0B
Synonyms	9,11-epoxy-7-(methoxycarbonyl)-3-oxo-17-pregn-4-ene-21,17-carbolactone, eplerenon, eplerenone, Inspra, Eplerenone, Epoxymexrenone, Inspra, 107724-20-9, Selara, SC-66110, Epleremone, CGP-30083, UNII-6995V82D0B, HSDB 7522, Cgp 30083, CHEMBL1095097, CHEBI:31547, Eplerenone [USAN], 6995V82D0B, NCGC00159559-02, DSSTox_CID_26094, DSSTox_RID_81333, DSSTox_GSID_46094, (+)-Eplerenone, Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,11alpha,17alpha)-, Inspra (TN), CAS-107724-20-9, 9,11alpha-Epoxy-17-hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic acid, gamma-lactone, methyl ester, Eplerenone [USAN:INN:BAN], Eplerenone(Inspra), SC 6110, AC1L9FDC, SCHEMBL21515, GTPL2876, DTXSID2046094, Eplerenone (JP17/USAN/INN), Eplerenone, >=98% (HPLC), JUKPWJGBANNWMW-VWBFHTRKSA-N, HMS3677K08, CGP30083, HY-B0251, SC-6611O, ZINC3985982, Tox21_111746, BDBM50318300, s1707, AKOS015962307, Tox21_111746_1, AC-4213, CS-2231, DB00700, KS-1406, 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone, Epoxymexrenone;CGP30083;SC-66110, NCGC00159559-03, BC210409, AB2000235, AX8041152, TL8000270, E0905, C12512, D01115, 54272-EP2270011A1, 54272-EP2298779A1, 54272-EP2308562A2, AB01274707-01, AB01274707_02, SR-01000942233, SR-01000942233-1, methyl dimethyl-5'-dioxo-spiro[[?]-[?],2'-tetrahydrofuran]carboxylate, (7?,11?,17?)-9,11-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic acid ?-lactone methyl ester, 9,11alpha-Epoxy-17-hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic Acid gamma-Lactone Methyl Ester, methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0;{1,17}.0;{2,7}.0;{11,15}]octadecan]-6'-ene-9'-carboxylate, methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate, methyl (4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-4a,6a-dimethyl-2,5'-dioxo-2,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-3H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-ca, YNU, eplerenon, rboxylate, D0Q4SD, Eplerenone (JAN/USAN/INN), CID443872, ACN-037295, C24-H30-O6, CS-O-01427, SC 66110, A8424, C414690, D000077545, Inspra, Epoxymexrenone, CGP30083, SC-66110,Eplerenone, Eplerenone, 98%, selective mineralocorticoid antagonist - 1G 1g, 9,11-epoxy-7-(methoxycarbonyl)-3-oxo-17-pregn-4-ene-21,17-carbolactone, 9-alpha,11-epoxy-7-alpha-(methoxycarbonyl)-3-oxo-17-alpha-pregn-4-ene-21,17-carbolactone, (7-alpha,11-alpha,17-alpha)-9,11-Epoxy-17-hydroxy-3-oxopregn-4-ene-7,21-dicarboxylic acid gamma-lactone 7-methyl ester, EPL, Spiro(cyclopenta(7,8)phenanthro(4b,5-b)oxirene-7(3H),2'(3'H)-furan)-10-carboxylic acid, 2,4,4',4a,5',5a,6,6a,8,9,9a,9b,10,11-tetradecahydro-4a,6a-dimethyl-2,5'-dioxo-, methyl ester, (4aS,4bR,5aR,6aS,7 R,9aS,9bR,10R)-,

Complexity	907
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	414.204g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	414.498g/mol
Monoisotopic Mass	414.204g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	82.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Related Research Chemicals

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited