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Substance Name: Sitostanyl ferulate
RN: 117857-70-2
UNII: 0VKV946D5B
InChIKey: RAKOKKNCCBUUMP-HNBUMGCJSA-N

Molecular Formula

  • C39-H60-O4

Molecular Weight

  • 592.899
 
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Names and Synonyms

Name of Substance

  • Sitostanyl ferulate

Synonyms

  • Sitostanyl ferulate
  • Stigmastan-3-ol, 3-((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (3beta,5alpha)-
  • Stigmastanol trans-ferulate
  • trans-Feruloylstigmastanole
  • UNII-0VKV946D5B

Registry Numbers

CAS Registry Number

  • 117857-70-2

FDA UNII

  • 0VKV946D5B

System Generated Number

  • 0117857702

Structure Descriptors

InChI

1S/C39H60O4/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/h10-11,17-18,23,25-26,28-34,40H,8-9,12-16,19-22,24H2,1-7H3/b18-11+/t26-,28-,29+,30+,31+,32-,33+,34+,38+,39-/m1/s1

InChIKey

RAKOKKNCCBUUMP-HNBUMGCJSA-N

Smiles

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/c5ccc(c(c5)OC)O)C)C)C(C)C