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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

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@@H]([C@@H](O)C6=C[C@@H](O)[C@H](O)C[C@]6(C)[C@@]15O2)C(=O)OC

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 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:13 UTC 2023
Edited
by admin
on Sat Dec 16 09:11:13 UTC 2023
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
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.)-HYDROXYEPLERENONE
Common Name English
(2.ALPHA.,3.BETA.,6.BETA.)-TRIHYDROXYEPLERENONE
Common Name English
Code System Code Type Description
PUBCHEM
156028070
Created by admin on Sat Dec 16 09:11:13 UTC 2023 , Edited by admin on Sat Dec 16 09:11:13 UTC 2023
PRIMARY
FDA UNII
VSC965W7CY
Created by admin on Sat Dec 16 09:11:13 UTC 2023 , Edited by admin on Sat Dec 16 09:11:13 UTC 2023
PRIMARY
CAS
674781-22-7
Created by admin on Sat Dec 16 09:11:13 UTC 2023 , Edited by admin on Sat Dec 16 09:11:13 UTC 2023
PRIMARY
Related Record Type Details
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MINOR
FECAL