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CHEBI:212162 - Colobetaolactone IV

ChEBI IDCHEBI:212162
ChEBI NameColobetaolactone IV
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
SMILESCC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)C[C@@]2(O)CCC(=O)OC(C)(C)[C@@H]2CC4)OC1=O
InChIInChI=1S/C30H44O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24-27(3,4)35-25(31)13-16-30(24,33)17-20(22)11-14-28(21,29)5/h7,19,21,23-24,33H,8-17H2,1-6H3/t19-,21+,23+,24-,28+,29-,30-/m0/s1
InChIKeyKTMCGJGORRSIGX-JPTDSSQXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (18451550)
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone IV (CHEBI:212162) is a lactone (CHEBI:25000)
IUPAC Name 
(3S,9R,13R,16R,17R)-3-hydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadec-1(12)-en-6-one
Manual XrefsDatabases
78438000ChemSpider