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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H52O2
Molecular Weight 456.7434
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-SITOSTERYL ACETATE

SMILES

[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=PBWOIPCULUXTNY-LBKBYZTLSA-N
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H52O2
Molecular Weight 456.7434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:09:37 GMT 2023
Edited
by admin
on Fri Dec 15 17:09:37 GMT 2023
Record UNII
TWI48DH01E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-SITOSTERYL ACETATE
Common Name English
.BETA.-SITOSTEROL 3-ACETATE
Common Name English
ACETYL-.BETA.-SITOSTEROL
Common Name English
STIGMAST-5-EN-3.BETA.-OL, ACETATE
Systematic Name English
O-ACETYL-.BETA.-SITOSTEROL
Common Name English
STIGMAST-5-EN-3-OL, ACETATE, (3.BETA.)-
Systematic Name English
BETA-SITOSTEROL ACETATE
Common Name English
BETA-SITOSTERYL ACETATE [INCI]
Common Name English
STIGMAST-5-ENE-3.BETA.-OL ACETATE
Systematic Name English
STIGMAST-5-EN-3-OL, 3-ACETATE, (3.BETA.)-
Systematic Name English
NSC-11922
Code English
STIGMAST-5-EN-3.BETA.-YL ACETATE
Systematic Name English
BETA-SITOSTERYL ACETATE
INCI  
INCI  
Official Name English
SITOSTERYL ACETATE
Common Name English
SITOSTEROL ACETATE
Common Name English
3.BETA.-ACETOXYSTIGMAST-5-ENE
Systematic Name English
.BETA.-SITOSTEROL ACETATE [MI]
Common Name English
.BETA.-SITOSTEROL ACETATE
Common Name English
Code System Code Type Description
MERCK INDEX
m9965
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-019-6
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
CAS
915-05-9
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
FDA UNII
TWI48DH01E
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
NSC
11922
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID70894094
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
PUBCHEM
5354503
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY
CHEBI
69433
Created by admin on Fri Dec 15 17:09:37 GMT 2023 , Edited by admin on Fri Dec 15 17:09:37 GMT 2023
PRIMARY