Ergosterol peroxide

CAS Registry Number®

2061-64-5
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CAS Name

Ergosterol peroxide

Molecular Formula

C28H44O3

Molecular Mass

428.65

Cite this Page

Ergosterol peroxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2061-64-5 (retrieved 2024-04-26) (CAS RN: 2061-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1

InChIKey

InChIKey=VXOZCESVZIRHCJ-KGHQQZOUSA-N

SMILES

C[C@@]12[C@@]3([C@@]4([C@]5([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC5)[H])[H])C=C[C@@]1(OO4)C[C@@H](O)CC2)[H]

Canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=CC(C)C(C)C)C

Other Names for this Substance

  • Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3β,5α,8α,22E)-
  • 5α,8α-Ergosta-6,22-dien-3β-ol, 5,8-epidioxy-
  • 5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv.
  • (3β,5α,8α,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol
  • Ergosterol peroxide

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Deleted or Replaced CAS Registry Numbers

22321-17-1, 49759-24-2, 64907-19-3, 122406-63-7, 132008-50-5, 256942-55-9, 2044999-96-2, 2131091-11-5, 2135874-28-9, 2170259-78-4

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