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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H41NO5
Molecular Weight 447.6074
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(ACETYLOXY)-6-(HYDROXYIMINO)CHOLAN-24-OIC ACID, (3.ALPHA.,5.BETA.)-

SMILES

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

InChI

InChIKey=WHCBXCKDJHKONT-INCGDRJOSA-N
InChI=1S/C26H41NO5/c1-15(5-8-24(29)30)19-6-7-20-18-14-23(27-31)22-13-17(32-16(2)28)9-11-26(22,4)21(18)10-12-25(19,20)3/h15,17-22,31H,5-14H2,1-4H3,(H,29,30)/b27-23+/t15-,17-,18+,19-,20+,21+,22+,25-,26-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3ALPHA-ACETYLOXY-6-HYDROXYIMINO-5BETA-CHOLANIC ACID
Preferred Name English
3-(ACETYLOXY)-6-(HYDROXYIMINO)CHOLAN-24-OIC ACID, (3.ALPHA.,5.BETA.)-
Common Name English
Code System Code Type Description
PUBCHEM
119025711
Created by admin on Mon Mar 31 23:30:07 GMT 2025 , Edited by admin on Mon Mar 31 23:30:07 GMT 2025
PRIMARY
FDA UNII
9YU7A3TD3U
Created by admin on Mon Mar 31 23:30:07 GMT 2025 , Edited by admin on Mon Mar 31 23:30:07 GMT 2025
PRIMARY