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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O2
Molecular Weight 400.6371
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 22R-HYDROXYDESMOSTEROL

SMILES

C[C@H]([C@H](O)CC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=DJZMVDQAHDXJDB-GFKLAVDKSA-N
InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
22R-HYDROXYDESMOSTEROL
Common Name English
22(R)-HYDROXYDESMOSTEROL
Preferred Name English
(22R)-CHOLESTA-5,24-DIENE-3.BETA.,22-DIOL
Systematic Name English
CHOLESTA-5,24-DIENE-3,22-DIOL, (3.BETA.,22R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20969867
Created by admin on Tue Apr 01 16:50:50 GMT 2025 , Edited by admin on Tue Apr 01 16:50:50 GMT 2025
PRIMARY
PUBCHEM
21120317
Created by admin on Tue Apr 01 16:50:50 GMT 2025 , Edited by admin on Tue Apr 01 16:50:50 GMT 2025
PRIMARY
CAS
54604-98-7
Created by admin on Tue Apr 01 16:50:50 GMT 2025 , Edited by admin on Tue Apr 01 16:50:50 GMT 2025
PRIMARY
FDA UNII
NI676SWW2A
Created by admin on Tue Apr 01 16:50:50 GMT 2025 , Edited by admin on Tue Apr 01 16:50:50 GMT 2025
PRIMARY