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Stigmasterol acetate

CAS Registry Number®

4651-48-3

CAS Name

Stigmasterol acetate

Molecular Formula

C31H50O2

Molecular Mass

454.73

Cite this Page

Stigmasterol acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4651-48-3 (retrieved 2024-12-27) (CAS RN: 4651-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H50O2/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/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

InChIKey

InChIKey=IZEUIYYDWBKERE-ZRODXFKISA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[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=CC(CC)C(C)C)C)C2(C)CC1)C

Other Names for this Substance

  • Stigmasta-5,22-dien-3β-ol, 3-acetate, (3β,22E)-
  • Stigmasta-5,22-dien-3β-ol, acetate
  • Stigmasterol acetate
  • Stigmasta-5,22-dien-3-ol, acetate, (3β,22E)-
  • Stigmasteryl acetate

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Deleted or Replaced CAS Registry Numbers

1900-51-2, 412909-20-7

CAS INSIGHTSTM
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