21-HYDROXYEPLERENONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C24H30O7
Molecular Weight	430.4908
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]34O[C@@H]3C[C@@]5(C)[C@@H](CC[C@@]56CC(O)C(=O)O6)[C@H]14

InChI

InChIKey=TVCONGKEWSYBKD-NBACNWMZSA-N

InChI=1S/C24H30O7/c1-21-6-4-13(25)8-12(21)9-14(19(27)29-3)18-15-5-7-23(10-16(26)20(28)31-23)22(15,2)11-17-24(18,21)30-17/h8,14-18,26H,4-7,9-11H2,1-3H3/t14-,15+,16?,17-,18+,21+,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O7
Molecular Weight	430.4908
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:32:59 GMT 2025` Edited by `admin` on `Mon Mar 31 22:32:59 GMT 2025`
Record UNII	87R014GSYH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-HYDROXYEPLERENONE

Common Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-

Preferred Name

English

Code System Code Type Description

CAS

334678-67-0

Created by admin on Mon Mar 31 22:32:59 GMT 2025 , Edited by admin on Mon Mar 31 22:32:59 GMT 2025

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FDA UNII

87R014GSYH

Created by admin on Mon Mar 31 22:32:59 GMT 2025 , Edited by admin on Mon Mar 31 22:32:59 GMT 2025

PRIMARY

PUBCHEM

91810647

Created by admin on Mon Mar 31 22:32:59 GMT 2025 , Edited by admin on Mon Mar 31 22:32:59 GMT 2025

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EPLERENONE

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