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

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H82O2
Molecular Weight 679.1528
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STIGMASTEROL 3-STEARATE

SMILES

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

InChI

InChIKey=OCCJRXYEZCKHHI-DZTXZVRESA-N
InChI=1S/C47H82O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

HIDE SMILES / InChI

Molecular Formula C47H82O2
Molecular Weight 679.1528
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:08:28 GMT 2023
Edited
by admin
on Fri Dec 15 22:08:28 GMT 2023
Record UNII
8206201S8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STIGMASTEROL 3-STEARATE
Common Name English
STEARIC ACID, STIGMASTA-5,22-DIEN-3.BETA.-YL ESTER
Common Name English
STIGMASTA-5,22-DIEN-3-OL, 3-OCTADECANOATE, (3.BETA.,22E)-
Common Name English
STIGMASTEROL, STEARATE
Common Name English
STIGMASTERYL STEARATE
Common Name English
STIGMASTA-5,22-DIEN-3.BETA.-OL, STEARATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90178540
Created by admin on Fri Dec 15 22:08:28 GMT 2023 , Edited by admin on Fri Dec 15 22:08:28 GMT 2023
PRIMARY
PUBCHEM
13828746
Created by admin on Fri Dec 15 22:08:28 GMT 2023 , Edited by admin on Fri Dec 15 22:08:28 GMT 2023
PRIMARY
CAS
23838-16-6
Created by admin on Fri Dec 15 22:08:28 GMT 2023 , Edited by admin on Fri Dec 15 22:08:28 GMT 2023
PRIMARY
FDA UNII
8206201S8J
Created by admin on Fri Dec 15 22:08:28 GMT 2023 , Edited by admin on Fri Dec 15 22:08:28 GMT 2023
PRIMARY