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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H48O5
Molecular Weight 464.6777
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7,12-Trihydroxycholestane-5-carboxylic acid, (3?,5?,7?,12?)-

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@]4(C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(O)=O

InChI

InChIKey=JIFNDZCDNLFAKC-YAODFNMUSA-N
InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H48O5
Molecular Weight 464.6777
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 Wed Apr 02 08:18:33 GMT 2025
Edited
by admin
on Wed Apr 02 08:18:33 GMT 2025
Record UNII
8ZJG7M7XQT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7,12-Trihydroxycoprostanic acid(27,27,27-d3)
Preferred Name English
3,7,12-Trihydroxycholestane-5-carboxylic acid, (3?,5?,7?,12?)-
Systematic Name English
Cholestane-5-carboxylic acid, 3,7,12-trihydroxy-, (3?,5?,7?,12?)-
Common Name English
(3r,5r,7r,8r,9s,10r,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid
Systematic Name English
(3?,5?,7?,12?)-3,7,12-Trihydroxy-cholestane-5-carboxylic acid
Systematic Name English
(3?,5?,7?,12?)-3,7,12-Trihydroxycholestane-5-carboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
122166
Created by admin on Wed Apr 02 08:18:33 GMT 2025 , Edited by admin on Wed Apr 02 08:18:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID801186225
Created by admin on Wed Apr 02 08:18:33 GMT 2025 , Edited by admin on Wed Apr 02 08:18:33 GMT 2025
PRIMARY
FDA UNII
8ZJG7M7XQT
Created by admin on Wed Apr 02 08:18:33 GMT 2025 , Edited by admin on Wed Apr 02 08:18:33 GMT 2025
PRIMARY
CAS
863-39-8
Created by admin on Wed Apr 02 08:18:33 GMT 2025 , Edited by admin on Wed Apr 02 08:18:33 GMT 2025
PRIMARY