Ergosterol

CAS Registry Number®

57-87-4
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CAS Name

Ergosterol

Molecular Formula

C28H44O

Molecular Mass

396.65

Cite this Page

Ergosterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57-87-4 (retrieved 2024-04-19) (CAS RN: 57-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    250 °C @ Press: 0.01 Torr

  • Melting Point (1)

    170 °C

  • Density (1)

    1.04 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

InChIKey

InChIKey=DNVPQKQSNYMLRS-APGDWVJJSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])(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-5,7,22-trien-3-ol, (3β,22E)-
  • Ergosterol
  • (3β,22E)-Ergosta-5,7,22-trien-3-ol
  • Ergosterin
  • Provitamin D2

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Deleted or Replaced CAS Registry Numbers

18844-74-1, 37571-51-0, 2170258-75-8

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