6,21-DIHYDROXYEPLERENONE, 6.BETA.-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C24H30O8
Molecular Weight	446.4902
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,21-DIHYDROXYEPLERENONE, 6.BETA.-

Structure Search

SMILES

COC(=O)[C@@H]1[C@@H](O)C2=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=XGNJVKUWAJKFLN-OWGGUJMTSA-N

InChI=1S/C24H30O8/c1-21-6-4-11(25)8-13(21)18(27)16(20(29)30-3)17-12-5-7-23(9-14(26)19(28)32-23)22(12,2)10-15-24(17,21)31-15/h8,12,14-18,26-27H,4-7,9-10H2,1-3H3/t12-,14?,15+,16-,17+,18-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O8
Molecular Weight	446.4902
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:33:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:33:00 GMT 2025`
Record UNII	Q01234U79A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,21-DIHYDROXYEPLERENONE, 6.BETA.-

Common Name

English

6.BETA.,21-DIHYDROXYEPLERENONE

Preferred Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-6,21-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-

Systematic Name

English

6.BETA.,21-HYDROXYEPLERENONE

Common Name

English

Code System Code Type Description

PUBCHEM

91810652

Created by admin on Mon Mar 31 22:33:00 GMT 2025 , Edited by admin on Mon Mar 31 22:33:00 GMT 2025

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FDA UNII

Q01234U79A

Created by admin on Mon Mar 31 22:33:00 GMT 2025 , Edited by admin on Mon Mar 31 22:33:00 GMT 2025

PRIMARY

CAS

674781-15-8

Created by admin on Mon Mar 31 22:33:00 GMT 2025 , Edited by admin on Mon Mar 31 22:33:00 GMT 2025

PRIMARY

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EPLERENONE

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