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

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H84O2
Molecular Weight 681.1687
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-SITOSTEROL ISOSTEARATE

SMILES

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

InChI

InChIKey=BXBMUBYHCYVLBD-QXKOIZLYSA-N
InChI=1S/C47H84O2/c1-9-38(36(4)5)25-24-37(6)42-28-29-43-41-27-26-39-34-40(30-32-46(39,7)44(41)31-33-47(42,43)8)49-45(48)23-21-19-17-15-13-11-10-12-14-16-18-20-22-35(2)3/h26,35-38,40-44H,9-25,27-34H2,1-8H3/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-SITOSTERYL ISOSTEARATE
Preferred Name English
.BETA.-SITOSTEROL ISOSTEARATE
Common Name English
STIGMAST-5-EN-3.BETA.-OL ISOSTEARATE
Systematic Name English
STIGMAST-5-EN-3-OL, ISOOCTADECANOATE, (3.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
112500494
Created by admin on Mon Mar 31 23:06:15 GMT 2025 , Edited by admin on Mon Mar 31 23:06:15 GMT 2025
PRIMARY
FDA UNII
5N173DT21C
Created by admin on Mon Mar 31 23:06:15 GMT 2025 , Edited by admin on Mon Mar 31 23:06:15 GMT 2025
PRIMARY
CAS
169739-09-7
Created by admin on Mon Mar 31 23:06:15 GMT 2025 , Edited by admin on Mon Mar 31 23:06:15 GMT 2025
PRIMARY