Ergosterol, acetate

CAS Registry Number®

2418-45-3
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CAS Name

Ergosterol, acetate

Molecular Formula

C30H46O2

Molecular Mass

438.68

Cite this Page

Ergosterol, acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2418-45-3 (retrieved 2024-04-30) (CAS RN: 2418-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    126 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24-,26+,27-,28-,29-,30+/m0/s1

InChIKey

InChIKey=NGEVNHYPVVOXPB-RZZBNZQCSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]

Canonical SMILES

O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(C)C(C)C)C)C2(C)CC1)C

Other Names for this Substance

  • Ergosta-5,7,22-trien-3β-ol, 3-acetate, (3β,22E)-
  • Ergosterol, acetate
  • Ergosta-5,7,22-trien-3-ol, acetate, (3β,22E)-
  • Ergosta-5,7,22-trien-3β-yl acetate
  • Ergosteryl acetate

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