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Substance Name: Stigmasteryl ferulate
RN: 20972-08-1
UNII: 2560PXB85N
InChIKey: NMWHNQAIHFWROQ-ZJNYQSGUSA-N

Molecular Formula

  • C39-H56-O4

Molecular Weight

  • 588.8674
 
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Names and Synonyms

Name of Substance

  • Stigmasteryl ferulate

Synonyms

  • Cinnamic acid, 4-hydroxy-3-methoxy-stigmasta-5,22-dien-3beta-yl ester
  • Stigmasta-5,22-dien-3-ol, 3-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (3beta,22E)-
  • Stigmasterol ferulate
  • Stigmasterol, 4-hydroxy-3-methoxycinnamate
  • Stigmasteryl ferulate
  • UNII-2560PXB85N

Registry Numbers

CAS Registry Number

  • 20972-08-1

FDA UNII

  • 2560PXB85N

System Generated Number

  • 0020972081

Structure Descriptors

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

InChIKey

NMWHNQAIHFWROQ-ZJNYQSGUSA-N

Smiles

CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/c5ccc(c(c5)OC)O)C)C)C(C)C