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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H40O4
Molecular Weight 392.572
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID

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)CCC(O)=O

InChI

InChIKey=RUDATBOHQWOJDD-DNMBCGTGSA-N
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLANOIC ACID
Systematic Name English
URSODEOXYCHOLIC ACID IMPURITY H [EP IMPURITY]
Common Name English
3.BETA.,7.BETA.-DIHYDROXY-5.BETA.-CHOLANIC ACID
Systematic Name English
ISOURSODEOXYCHOLIC ACID
Common Name English
3.BETA.-URSODEOXYCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3.BETA.,5.BETA.,7.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
78919-26-3
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY
RS_ITEM_NUM
1707792
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY
FDA UNII
2R6LC4J3N9
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID901318875
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY
PUBCHEM
127601
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY
CHEBI
43419
Created by admin on Sat Dec 16 14:42:07 GMT 2023 , Edited by admin on Sat Dec 16 14:42:07 GMT 2023
PRIMARY