EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188193 - Presphaerol

ChEBI IDCHEBI:188193
ChEBI NamePresphaerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@]12CC[C@H](C(C)C)[C@]1(C)C[C@@](C)(O)CC1CCC(C)=C[C@@]12[H]
InChIInChI=1S/C20H34O/c1-13(2)17-8-9-18-16-10-14(3)6-7-15(16)11-19(4,21)12-20(17,18)5/h10,13,15-18,21H,6-9,11-12H2,1-5H3/t15?,16-,17+,18+,19-,20-/m0/s1
InChIKeyQOYFRUFHTPXBBI-KFCWCOGWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Presphaerol (CHEBI:188193) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3R,3aS,5S,10aR,10bR)-3a,5,9-trimethyl-3-propan-2-yl-1,2,3,4,6,6a,7,8,10a,10b-decahydrobenzo[e]azulen-5-ol
Manual XrefsDatabases
24846797ChemSpider