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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O8
Molecular Weight 448.5061
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6-TRIHYDROXYEPLERENONE, (2.ALPHA.,3.BETA.,6.BETA.)-

SMILES

COC(=O)[C@@H]1[C@@H](O)C2=C[C@@H](O)[C@H](O)C[C@]2(C)[C@@]34O[C@@H]3C[C@@]5(C)[C@@H](CC[C@@]56CCC(=O)O6)[C@H]14

InChI

InChIKey=SFLNKZQOMSIFGF-YLTZHOJTSA-N
InChI=1S/C24H32O8/c1-21-10-15-24(31-15)18(11(21)4-6-23(21)7-5-16(27)32-23)17(20(29)30-3)19(28)12-8-13(25)14(26)9-22(12,24)2/h8,11,13-15,17-19,25-26,28H,4-7,9-10H2,1-3H3/t11-,13+,14+,15+,17-,18+,19-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32O8
Molecular Weight 448.5061
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:33:01 GMT 2025
Edited
by admin
on Mon Mar 31 22:33:01 GMT 2025
Record UNII
VSC965W7CY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6-TRIHYDROXYEPLERENONE, (2.ALPHA.,3.BETA.,6.BETA.)-
Common Name English
(2.ALPHA.,3.BETA.,6.BETA.)-HYDROXYEPLERENONE
Preferred Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-2,3,6-TRIHYDROXY-, .GAMMA.-LACTONE, METHYL ESTER, (2.ALPHA.,3.BETA.,6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
(2.ALPHA.,3.BETA.,6.BETA.)-TRIHYDROXYEPLERENONE
Common Name English
Code System Code Type Description
PUBCHEM
156028070
Created by admin on Mon Mar 31 22:33:01 GMT 2025 , Edited by admin on Mon Mar 31 22:33:01 GMT 2025
PRIMARY
FDA UNII
VSC965W7CY
Created by admin on Mon Mar 31 22:33:01 GMT 2025 , Edited by admin on Mon Mar 31 22:33:01 GMT 2025
PRIMARY
CAS
674781-22-7
Created by admin on Mon Mar 31 22:33:01 GMT 2025 , Edited by admin on Mon Mar 31 22:33:01 GMT 2025
PRIMARY
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