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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O2
Molecular Weight 442.7168
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOPHORADIOL

SMILES

[H][C@@]12CC(C)(C)C[C@@H](O)[C@]1(C)CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=ZEGUWBQDYDXBNS-FVFJQADASA-N
InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SOPHORADIOL
Common Name English
OLEAN-12-ENE-3.BETA.,22.BETA.-DIOL
Systematic Name English
(3.BETA.,22.BETA.)-OLEAN-12-ENE-3,22-DIOL
Systematic Name English
OLEAN-12-ENE-3,22-DIOL, (3.BETA.,22.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
T25H6K71ZE
Created by admin on Sat Dec 16 12:51:02 GMT 2023 , Edited by admin on Sat Dec 16 12:51:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID30987734
Created by admin on Sat Dec 16 12:51:02 GMT 2023 , Edited by admin on Sat Dec 16 12:51:02 GMT 2023
PRIMARY
CHEBI
62458
Created by admin on Sat Dec 16 12:51:02 GMT 2023 , Edited by admin on Sat Dec 16 12:51:02 GMT 2023
PRIMARY
PUBCHEM
9846221
Created by admin on Sat Dec 16 12:51:02 GMT 2023 , Edited by admin on Sat Dec 16 12:51:02 GMT 2023
PRIMARY
CAS
6822-47-5
Created by admin on Sat Dec 16 12:51:02 GMT 2023 , Edited by admin on Sat Dec 16 12:51:02 GMT 2023
PRIMARY