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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H56O4
Molecular Weight 588.8595
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of STIGMASTERYL FERULATE

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)\C=C\C5=CC(OC)=C(O)C=C5)[C@H](C)\C=C\[C@@H](CC)C(C)C

InChI

InChIKey=NMWHNQAIHFWROQ-ZJNYQSGUSA-N
InChI=1S/C39H56O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h9-13,17-18,23,25-26,28,30-34,40H,8,14-16,19-22,24H2,1-7H3/b12-9+,18-11+/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
STIGMASTERYL FERULATE
Common Name English
STIGMASTEROL FERULATE
Common Name English
STIGMASTA-5,22-DIEN-3-OL, 3-(3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOATE), (3.BETA.,22E)-
Systematic Name English
CINNAMIC ACID, 4-HYDROXY-3-METHOXY-STIGMASTA-5,22-DIEN-3.BETA.-YL ESTER
Common Name English
STIGMASTEROL, 4-HYDROXY-3-METHOXYCINNAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
2560PXB85N
Created by admin on Sat Dec 16 09:37:14 GMT 2023 , Edited by admin on Sat Dec 16 09:37:14 GMT 2023
PRIMARY
CAS
20972-08-1
Created by admin on Sat Dec 16 09:37:14 GMT 2023 , Edited by admin on Sat Dec 16 09:37:14 GMT 2023
PRIMARY
PUBCHEM
15056831
Created by admin on Sat Dec 16 09:37:14 GMT 2023 , Edited by admin on Sat Dec 16 09:37:14 GMT 2023
PRIMARY