AG003DVH

1097-51-4 | (6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-Acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one

AG003DVH

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CAS Number	1097-51-4
Catalog Number	AG003DVH(AGN-PC-0NX858)
Chemical Name	(6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-Acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one
EC Number	214-147-5
IUPAC Name	(1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one
InChI	InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChI Key	LHNVKVKZPHUYQO-SRWWVFQWSA-N
MDL Number	MFCD00055948
Molecular Formula	C21H28O3
Molecular Weight	328.4452
NSC Number	18315
SMILES	O=C1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@H](O5)C[C@@]4([H])[C@]3([H])CCC2=C1
UNII	F2DR02G069
Synonyms	16 alpha,17-epoxyprogesterone, 16 alpha,17-epoxyprogesterone, (16beta,17alpha)-isomer, 16,17-epoxy-4-pregnene-3,20-dione, 1097-51-4, 16a,17a-epoxyprogesterone, 16alpha,17-Epoxyprogesterone, 16,17-Epoxyprogesterone, 16-alpha,17-Epoxypregn-4-ene-3,20-dione, UNII-F2DR02G069, EINECS 214-147-5, NSC 18315, 16a,17a-Epoxy-4-Pregnen-3,20-Dione, 16,17-alpha-Epoxyprogesterone, 16alpha,17-Epoxypregn-4-ene-3,20-dione, CHEMBL2112759, CHEBI:34167, 16alpha,17alpha-Epoxyprogesterone, F2DR02G069, MFCD00055948, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16-alpha)-, (6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-acetyl-6a,8a-dimethyl-5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4(2H)-one, 16alpha,17alpha-Epoxy-4-pregnen-3,20-dione, Pregn-4-ene-3,20-dione, 16-alpha,17-epoxy-, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16a)-, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16alpha)-, Epoxy Progesterone, 16-17A-Epoxyprogesterone, (16alpha)-16,17-epoxypregn-4-ene-3,20-dione, AK305445, 16|A,17|A-Epoxy-4-pregnen-3,20-dione, AC1L2RVT, 16|A,17|A-epoxyprogesterone, SCHEMBL4539514, CTK3J4341, NSC18315, ZINC3982458, ABP000740, ANW-43470, BBL030013, BDBM50407978, NSC-18315, STK801869, AKOS005622696, AN-9616, CHM0017583, MCULE-4825273969, RL00417, RTR-031735, ZK-5197, DS-12125, H579, 16alpha,17alpha-Epoxyprogesterone, ~98%, LS-118667, TR-031735, C14681, 097E514, 16alpha-17alpha-Epoxy-Delta4-pregnen-3,20-dione, Pregn-4-ene-3, 16,17-epoxy-, (16.alpha.)-, W-108705, (6aR,6bS,8aS,8bS,9aR,10aS,10bR)-8b-acetyl-6a,8a-dimethyl-1,2,5,6,6a,6b,7,8,8a,8b,9a,10,10a,10b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-b]oxiren-4-one, 16,17-a-Epoxyprogesterone, 16 alpha,17-epoxyprogesterone, 16,17Alpha-Epoxy Progesterone, C21H28O3, AR-1L1717, CID101966, Epoxy progesterone, 97% - 1G 1g, ACN-050702, C21-H28-O3, 16,17-epoxy-4-pregnene-3,20-dione, pregn-4-ene-3,20-dione, 16-|A,17-epoxy-, C028108, 16 alpha,17-epoxyprogesterone, (16beta,17alpha)-isomer, Pregn-4-ene-3,20-dione, 16,17-epoxy-, (16.alpha.)-, 111196-54-4, 16a,17a-Epoxyprogesterone/16alpha,17alpha-;16alpha,17alpha--4--3,20-;;;;16,17-;16,17alpha-;,

Complexity	679
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	328.204g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	328.452g/mol
Monoisotopic Mass	328.204g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number