U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H42O3
Molecular Weight 378.5885
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3.ALPHA.,5.BETA.,7.BETA.)-CHOLANE-3,7,24-TRIOL

SMILES

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

InChI

InChIKey=NGALQDLKWWSXMK-ULQOMZCQSA-N
InChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h15-22,25-27H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H42O3
Molecular Weight 378.5885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:39:03 UTC 2023
Edited
by admin
on Sat Dec 16 14:39:03 UTC 2023
Record UNII
49AM7E73PT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3.ALPHA.,5.BETA.,7.BETA.)-CHOLANE-3,7,24-TRIOL
Systematic Name English
CHOLANE-3,7,24-TRIOL, (3.ALPHA.,5.BETA.,7.BETA.)-
Systematic Name English
URSODEOXYCHOLIC ACID IMPURITY I [EP IMPURITY]
Common Name English
5.BETA.-CHOLANE-3.ALPHA.,7.BETA.,24-TRIOL
Systematic Name English
Code System Code Type Description
CAS
130593-75-8
Created by admin on Sat Dec 16 14:39:03 UTC 2023 , Edited by admin on Sat Dec 16 14:39:03 UTC 2023
PRIMARY
PUBCHEM
5284061
Created by admin on Sat Dec 16 14:39:03 UTC 2023 , Edited by admin on Sat Dec 16 14:39:03 UTC 2023
PRIMARY
FDA UNII
49AM7E73PT
Created by admin on Sat Dec 16 14:39:03 UTC 2023 , Edited by admin on Sat Dec 16 14:39:03 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP