EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175433 - (3beta,5alpha)-4,4-Dimethylergosta-8,24(28)-dien-3-ol

ChEBI IDCHEBI:175433
ChEBI Name(3beta,5alpha)-4,4-Dimethylergosta-8,24(28)-dien-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILESC=C(CCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)C
InChIInChI=1S/C30H50O/c1-19(2)20(3)9-10-21(4)23-12-13-24-22-11-14-26-28(5,6)27(31)16-18-30(26,8)25(22)15-17-29(23,24)7/h19,21,23-24,26-27,31H,3,9-18H2,1-2,4-8H3
InChIKeyUEWBRSZKEWLYPN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3beta,5alpha)-4,4-Dimethylergosta-8,24(28)-dien-3-ol (CHEBI:175433) is a ergostanoid (CHEBI:50403)
IUPAC Name 
4,4,10,13-tetramethyl-17-(6-methyl-5-methylideneheptan-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
HMDB0030912HMDB