Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:53:49 UTC
Update Date2022-08-31 06:38:35 UTC
Metabolite IDMMDBc0015000
Metabolite Identification
Common NameFecosterol
Descriptionfecosterol belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Based on a literature review very few articles have been published on fecosterol.
Structure
Synonyms
ValueSource
24-Methylene-5alpha-cholest-8-en-3beta-olChEBI
24-Methylene-cholest-8-en-3beta-olChEBI
delta-8(24),28-ErgostadienolChEBI
24-Methylene-5a-cholest-8-en-3b-olGenerator
24-Methylene-5α-cholest-8-en-3β-olGenerator
24-Methylene-cholest-8-en-3b-olGenerator
24-Methylene-cholest-8-en-3β-olGenerator
Δ-8(24),28-ergostadienolGenerator
(3beta)-Isomer OF fecosterolMeSH
Molecular FormulaC28H46O
Average Mass398.6642
Monoisotopic Mass398.354866094
IUPAC Name(2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol
Traditional Name(2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3
InChI Identifier
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/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,24-,25+,27+,28-/m1/s1
InChI KeySLQKYSPHBZMASJ-QKPORZECSA-N