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CHEBI:219053 - Colobetaolactone A

Default Structure
ChEBI IDCHEBI:219053
ChEBI NameColobetaolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O5
Net Charge0
Average Mass516.763
Monoisotopic Mass516.38147
SMILESCC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)C(O)C/C=C(/C)CO)CC[C@@]12C
InChIInChI=1S/C32H52O5/c1-20(18-33)8-10-26(35)21(2)23-12-15-31(7)24-9-11-27-29(4,5)28(36)14-17-32(27,19-37-22(3)34)25(24)13-16-30(23,31)6/h8,21,23,26-28,33,35-36H,9-19H2,1-7H3/b20-8-/t21-,23+,26?,27-,28-,30+,31-,32-/m0/s1
InChIKeyUBOFIPWTXMSWDI-ISGKCMTKSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - DOI (10.1021/np000437k)
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone A (CHEBI:219053) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10R,13R,14R,17R)-17-[(Z,2S)-3,7-dihydroxy-6-methylhept-5-en-2-yl]-3-hydroxy-4,4,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
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8294187ChemSpider