EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207176 - 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

ChEBI IDCHEBI:207176
ChEBI Name2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H58O
Net Charge0
Average Mass494.848
Monoisotopic Mass494.44877
SMILESCC1=CCC(C(C)CCC2C(C)(O)CCC3C2(C)CCC2C4(C)CCCC(C)(C)C4CCC23C)=CC1
InChIInChI=1S/C35H58O/c1-24-10-13-26(14-11-24)25(2)12-15-30-34(7)22-17-28-32(5)20-9-19-31(3,4)27(32)16-21-33(28,6)29(34)18-23-35(30,8)36/h10,14,25,27-30,36H,9,11-13,15-23H2,1-8H3
InChIKeyXKBZJGQFALBSTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (20085287)
ChEBI Ontology
Outgoing Relation(s)
2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol (CHEBI:207176) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
Manual XrefsDatabases
78444130ChemSpider