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Details

Stereochemistry EPIMERIC
Molecular Formula C25H43O6S.Na
Molecular Weight 494.66
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INT-767

SMILES

[Na+].CC[C@H]1[C@@H](O)C2[C@@H]3CC[C@H]([C@H](C)CCOS([O-])(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChIKey=TXIWHUPIUUZFFK-HKIUZWRWSA-M
InChI=1S/C25H44O6S.Na/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30;/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30);/q;+1/p-1/t15-,16-,17-,18-,19+,20+,21+,22?,23-,24-,25-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C25H43O6S
Molecular Weight 471.67
Charge -1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:10:09 GMT 2025
Edited
by admin
on Wed Apr 02 21:10:09 GMT 2025
Record UNII
XC32MB7MCG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INT-767
Code English
6?-Ethyl-3?,7?,23-trihydroxy-24-nor-5?-cholan-23-yl sodium sulfate
Preferred Name English
Sodium (3R)-3-((3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl sulfate
Systematic Name English
INT-1103
Common Name English
24-Norcholane-3,7,23-triol, 6-ethyl-, 23-(hydrogen sulfate), sodium salt (1:1), (3?,5?,6?,7?)-
Systematic Name English
Code System Code Type Description
PUBCHEM
126843170
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
FDA UNII
XC32MB7MCG
Created by admin on Wed Apr 02 21:10:09 GMT 2025 , Edited by admin on Wed Apr 02 21:10:09 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE