Dehydroergosterol

CAS Registry Number®

516-85-8
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CAS Name

Dehydroergosterol

Molecular Formula

C28H42O

Molecular Mass

394.63

Cite this Page

Dehydroergosterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=516-85-8 (retrieved 2024-05-02) (CAS RN: 516-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1

InChIKey

InChIKey=QSVJYFLQYMVBDR-CMNOFMQQSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Ergosta-5,7,9(11),22-tetraen-3-ol, (3β,22E)-
  • Ergosta-5,7,9(11),22-tetraen-3β-ol
  • (3β,22E)-Ergosta-5,7,9(11),22-tetraen-3-ol
  • Dehydroergosterol
  • (22E)-Ergosta-5,7,9(11),22-tetraen-3β-ol

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Deleted or Replaced CAS Registry Numbers

118447-77-1, 1331-00-6

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