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Brassicasterol

CAS Registry Number®

474-67-9

CAS Name

Brassicasterol

Molecular Formula

C28H46O

Molecular Mass

398.66

Cite this Page

Brassicasterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=474-67-9 (retrieved 2024-12-27) (CAS RN: 474-67-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-213 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H46O/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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1

InChIKey

InChIKey=OILXMJHPFNGGTO-ZAUYPBDWSA-N

SMILES

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

Canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1

Other Names for this Substance

  • Ergosta-5,22-dien-3-ol, (3β,22E)-
  • Brassicasterol
  • Ergosta-5,22-dien-3β-ol
  • (3β,22E)-Ergosta-5,22-dien-3-ol
  • Brassicasterin

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Deleted or Replaced CAS Registry Numbers

23399-28-2, 168982-50-1

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