3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione

(1S,2S,4S,9S,12S,13S,16S,18S)-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-ene-6,11-dione

Also Known As: U 18317|3-Hydroxy-16,21-epoxypregn-17-ene-11,21-dione|3-beta,16-beta-Dihydroxy-11-oxo-5-alpha-pregn-17(20)-en-21-oic acid, gamma-lactone|5-alpha-Pregn-17(20)-en-21-oic acid, 3-beta,16-beta-dihydroxy-11-oxo-, gamma-lactone|Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)-|3beta-Hydroxy-5alpha,16beta-16,21-epoxypregn-17-ene-11,21-dione|5alpha-Pregn-17(20)-en-21-oic acid, 3beta,16beta-dihydroxy-11-oxo-, gamma-lactone|1H-Naphth[2',5]indeno[2,1-b]furan, pregn-17(20)-en-21-oic acid deriv.|Pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3beta,5alpha,16beta)-|3beta,16beta-Dihydroxy-11-oxo-5alpha-pregn-17(20)-en-21-oic acid gamma-lactone|5.alpha.-Pregn-17(20)-en-21-oic acid,16.beta.-dihydroxy-11-oxo-, .gamma.-lactone|5.alpha.-Pregn-17(20)-en-21-oic acid,16.beta.-dihydroxy-11-oxo-,-lactone|(1S,2S,4S,9S,12S,13S,16S,18S)-16-hydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-ene-6,11-dione|Pregn-17(20)-en-21-oic acid,16-dihydroxy-11-oxo-, .gamma.-lactone, (3.beta.,5.alpha.,16.beta.)-

Molecular Formula	C21H28O4
Molecular Weight	344.19876 g/mol
LogP	2.5
Topological Polar Surface Area	63.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	344.19876
Monoisotopic Mass	344.19876
Heavy Atoms	25
Complexity	681.0

Chemical Identifiers

CAS Number	337-67-7
SMILES	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C[C@H]5C4=CC(=O)O5)C)O
InChIKey	RZZGDMCXYZWMKR-NFTCQYMWSA-N