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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H50O2
Molecular Weight 430.7061
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.BETA.-HYDROXY-.BETA.-SITOSTEROL

SMILES

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

InChI

InChIKey=SXJVFYZNUGGHRG-PZHNMUJHSA-N
InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7.BETA.-HYDROXY-.BETA.-SITOSTEROL
Common Name English
5-STIGMASTEN-3.BETA.,7.BETA.-DIOL
Systematic Name English
STIGMAST-5-ENE-3,7-DIOL, (3.BETA.,7.BETA.)-
Systematic Name English
7.BETA.-HYDROXYSITOSTEROL-
Common Name English
(3S,7R,8S,9S,10R,13R,14S,17R)-17-((1R,4R)-4-ETHYL-1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-3,7-DIOL
Systematic Name English
STIGMAST-5-ENE-3.BETA.,7.BETA.-DIOL
Systematic Name English
7.BETA.-HYDROXYSITOSTEROL
Common Name English
(1R,3AS,3BS,4R,7S,9AR,9BS,11AR)-1-((2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL)-9A,11A-DIMETHYL-1H,2H,3H,3AH,3BH,4H,6H,7H,8H,9H,9AH,9BH,10H,11H,11AH-CYCLOPENTA(A)PHENANTHRENE-4,7-DIOL
Systematic Name English
7BETA-HYDROXYSITOSTEROL
Common Name English
(3.BETA.,7.BETA.)-STIGMAST-5-ENE-3,7-DIOL
Systematic Name English
Code System Code Type Description
CAS
15140-59-7
Created by admin on Sat Dec 16 18:53:52 GMT 2023 , Edited by admin on Sat Dec 16 18:53:52 GMT 2023
PRIMARY
PUBCHEM
12309569
Created by admin on Sat Dec 16 18:53:52 GMT 2023 , Edited by admin on Sat Dec 16 18:53:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID40934254
Created by admin on Sat Dec 16 18:53:52 GMT 2023 , Edited by admin on Sat Dec 16 18:53:52 GMT 2023
PRIMARY
FDA UNII
43TE8PG2TM
Created by admin on Sat Dec 16 18:53:52 GMT 2023 , Edited by admin on Sat Dec 16 18:53:52 GMT 2023
PRIMARY