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CHEBI:213564 - Crinipellin A

ChEBI IDCHEBI:213564
ChEBI NameCrinipellin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESC=C1C(=O)[C@H]2O[C@@]23[C@@H]1C[C@]12CC[C@H](C(C)C)[C@@]1(C)[C@@H](O)C(=O)[C@]32C
InChIInChI=1S/C20H26O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9,11-12,14,16,22H,3,6-8H2,1-2,4-5H3/t11-,12-,14+,16-,17+,18+,19-,20+/m1/s1
InChIKeySMSLZJPICPCPGQ-MTJBCBHESA-N
Species of MetaboliteComponentSourceComments
Crinipellis scabella (ncbitaxon:230788) - DOI (10.1002/ange.19850970829)
ChEBI Ontology
Outgoing Relation(s)
Crinipellin A (CHEBI:213564) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3R,6S,8R,9S,11R,12R,13R)-11-hydroxy-9,12-dimethyl-4-methylidene-13-propan-2-yl-7-oxapentacyclo[7.6.0.01,12.03,8.06,8]pentadecane-5,10-dione
Manual XrefsDatabases
31063915ChemSpider