EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200275 - Guanacastepene I

ChEBI IDCHEBI:200275
ChEBI NameGuanacastepene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCO[C@H]1C(=O)C2=C3O[C@H](O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C
InChIInChI=1S/C21H30O5/c1-10(2)13-18(25-5)16(23)15-17-14-12(19(24)26-17)11(22)6-7-20(14,3)8-9-21(13,15)4/h10-11,13,18-19,22,24H,6-9H2,1-5H3/t11-,13-,18+,19-,20-,21+/m0/s1
InChIKeySKXOFLYXSQQRDX-PPWBCYONSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene I (CHEBI:200275) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(4R,5R,6R,9R,12S,14S)-12,14-dihydroxy-4-methoxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-3-one
Manual XrefsDatabases
32742593ChemSpider