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CHEBI:221238 - Colobetaolactone D

ChEBI IDCHEBI:221238
ChEBI NameColobetaolactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O5
Net Charge0
Average Mass480.645
Monoisotopic Mass480.28757
SMILESCC1=CCC([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)CC[C@]23C)OC1=O
InChIInChI=1S/C30H40O5/c1-17-7-11-24(34-27(17)33)18(2)23-16-25(31)30(6)22-10-9-21-19(8-12-26(32)35-28(21,3)4)15-20(22)13-14-29(23,30)5/h7-8,12,15,18,21,23-25,31H,9-11,13-14,16H2,1-6H3/t18-,21+,23+,24?,25+,29+,30+/m0/s1
InChIKeyMGEGUOWYQQSKHH-GBOCAVNRSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - DOI (10.1021/np000437k)
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone D (CHEBI:221238) is a pyranone (CHEBI:37963)
IUPAC Name 
(9R,13R,14R,16R,17R)-14-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
Manual XrefsDatabases
8452994ChemSpider