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blazein

Go to external page http://purl.obolibrary.org/obo/CHEBI_68081

An ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3 and 5 and a methoxy group at position 6 (the 3beta,5alpha stereoisomer). It has been isolated from the fungus, Xylaria species.

Term info

Label

blazein

Synonyms
  • (22E)-6beta-methoxyergosta-7,22-diene-3beta,5alpha-diol
database cross reference
Subsets

3_STAR

IUPAC NAME
(22E)-6beta-methoxyergosta-7,22-diene-3beta,5alpha-diol [ IUPAC ]

charge

0

formula

C29H48O3

has obo namespace

chebi_ontology

id

CHEBI:68081

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

GQVCGTRDXSDAHC-KNXFMRPFSA-N

mass

444.68960

monoisotopicmass

444.36035

smiles

CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O