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β-Sitosterol acetate

CAS Registry Number®

915-05-9

CAS Name

β-Sitosterol acetate

Molecular Formula

C31H52O2

Molecular Mass

456.74

Cite this Page

β-Sitosterol acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=915-05-9 (retrieved 2024-12-27) (CAS RN: 915-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125.6-137 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

InChIKey

InChIKey=PBWOIPCULUXTNY-LBKBYZTLSA-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)=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

Other Names for this Substance

  • Stigmast-5-en-3-ol, 3-acetate, (3β)-
  • Stigmast-5-en-3β-ol, acetate
  • β-Sitosterol acetate
  • Stigmast-5-en-3-ol, acetate, (3β)-
  • 3β-Acetoxystigmast-5-ene

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Deleted or Replaced CAS Registry Numbers

1413-82-7, 5808-28-6, 1258782-60-3

CAS INSIGHTSTM
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