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5,6-Epoxyergosterol

CAS Registry Number®

23637-31-2
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CAS Name

5,6-Epoxyergosterol

Molecular Formula

C28H44O2

Molecular Mass

412.65

Cite this Page

5,6-Epoxyergosterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23637-31-2 (retrieved 2024-09-20) (CAS RN: 23637-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-236 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28-/m0/s1

InChIKey

InChIKey=KVMYKLHJBYIOKD-QYYFJRRUSA-N

SMILES

C[C@]12[C@@]3([C@@](O3)(C=C4[C@@]1(CC[C@@]5(C)[C@]4(CC[C@@]5([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])[H])[H])C[C@@H](O)CC2

Canonical SMILES

OC1CCC2(C)C3C(=CC4OC42C1)C5CCC(C(C=CC(C)C(C)C)C)C5(C)CC3

Other Names for this Substance

  • Ergosta-7,22-dien-3-ol, 5,6-epoxy-, (3β,5α,6α,22E)-
  • 5α-Ergosta-7,22-dien-3β-ol, 5,6α-epoxy-
  • 5,6-Epoxyergosterol
  • 5α,6α-Epoxy-24(R)-methylcholesta-7,22-dien-3β-ol
  • 5α,6α-Epoxy-5α-ergosta-7,22-dien-3β-ol

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Deleted or Replaced CAS Registry Numbers

216302-95-3