Sitosteryl ferulate

CAS Registry Number®

4952-28-7
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CAS Name

Sitosteryl ferulate

Molecular Formula

C39H58O4

Molecular Mass

590.88

Cite this Page

Sitosteryl ferulate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4952-28-7 (retrieved 2024-05-20) (CAS RN: 4952-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    131-131.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H58O4/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/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1

InChIKey

InChIKey=ROUSJNZGMHNWOS-ULZUVGBDSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CC[C@H](C(C)C)CC)C)(CC4)[H])[H])(CC=C1C[C@@H](OC(C=CC5=CC(OC)=C(O)C=C5)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1)C=CC5=CC=C(O)C(OC)=C5

Other Names for this Substance

  • Stigmast-5-en-3-ol, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3β)-
  • Stigmast-5-en-3β-ol, 4-hydroxy-3-methoxycinnamate
  • β-Sitosterol, 4-hydroxy-3-methoxycinnamate
  • Cinnamic acid, 4-hydroxy-3-methoxy-, stigmast-5-en-3β-yl ester
  • β-Sitosterol ferulate

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Deleted or Replaced CAS Registry Numbers

95777-67-6

CAS INSIGHTSTM
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