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4beta-methylzymosterol-4-carbaldehyde

Go to external page http://purl.obolibrary.org/obo/CHEBI_87287

A 3beta-sterol that consists of 4beta-methylzymosterol in which the 4alpha-hydrogen is replaced by a formyl group.

Term info

Label

4beta-methylzymosterol-4-carbaldehyde

Synonyms
  • 3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carbaldehyde
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta-hydroxy-4-methyl-5alpha-cholesta-8,24-diene-4alpha-carbaldehyde [ IUPAC ]

charge

0

formula

C29H46O2

has obo namespace

chebi_ontology

has related synonym

4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol, (3beta,4alpha,5alpha)-3-hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde, 4alpha-formyl-4-methylzymosterol

id

CHEBI:87287

inchi

InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1

inchikey

GFGANDKVOKQAGH-WKYRUEGDSA-N

mass

426.67430

monoisotopicmass

426.34978

smiles

C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]1CC3