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brassicasterol

Go to external page http://purl.obolibrary.org/obo/CHEBI_3168

An 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil.

Term info

Label

brassicasterol

Synonyms
  • (22E)-ergosta-5,22-dien-3beta-ol
  • brassicasterol
database cross reference
Subsets

3_STAR

IUPAC NAME
(22E)-ergosta-5,22-dien-3beta-ol [ IUPAC ]

charge

0

formula

C28H46O

has obo namespace

chebi_ontology

has related synonym

brassicasterin, 24(R)-methylcholesta-5,22E-dien-3beta-ol, (3beta,22E)-ergosta-5,22-dien-3-ol, ergosta-5,22E-dien-3beta-ol, ergosta-5,22(E)-dien-3beta-ol, (22E,24R)-24-methylcholesta-5,22-dien-3beta-ol, 24-methyl cholest-5,22-dien-3beta-ol

id

CHEBI:3168

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

OILXMJHPFNGGTO-ZAUYPBDWSA-N

mass

398.675

monoisotopicmass

398.35487

smiles

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