Blazein

CAS Registry Number®

126060-09-1

CAS Name

Blazein

Molecular Formula

C29H48O3

Molecular Mass

444.69

Cite this Page

Blazein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126060-09-1 (retrieved 2024-11-24) (CAS RN: 126060-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)23-10-11-24-22-16-26(32-7)29(31)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,16,18-21,23-26,30-31H,10-15,17H2,1-7H3/b9-8+/t19-,20+,21-,23+,24-,25-,26+,27+,28+,29-/m0/s1

InChIKey

InChIKey=GQVCGTRDXSDAHC-KNXFMRPFSA-N

SMILES

C[C@@]12[C@@]3(C([C@]4([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC4)[H])[H])=C[C@@H](OC)[C@@]1(O)C[C@@H](O)CC2)[H]

Canonical SMILES

OC1CCC2(C)C3C(=CC(OC)C2(O)C1)C4CCC(C(C=CC(C)C(C)C)C)C4(C)CC3

Other Names for this Substance

  • Ergosta-7,22-diene-3,5-diol, 6-methoxy-, (3β,5α,6β,22E)-
  • (3β,5α,6β,22E)-6-Methoxyergosta-7,22-diene-3,5-diol
  • 6-O-Methylcerevisterol
  • Blazein

Deleted or Replaced CAS Registry Numbers

2244768-39-4