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CHEBI:205484 - Colobetaolactone II

Default Structure
ChEBI IDCHEBI:205484
ChEBI NameColobetaolactone II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O4
Net Charge0
Average Mass470.694
Monoisotopic Mass470.33961
SMILESCC1=CC[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]2CC4)OC1=O
InChIInChI=1S/C30H46O4/c1-17-8-10-22(34-26(17)33)18(2)19-12-14-29(6)20-9-11-23-27(3,4)24(31)16-25(32)30(23,7)21(20)13-15-28(19,29)5/h8,18-19,22-25,31-32H,9-16H2,1-7H3/t18-,19+,22+,23-,24-,25+,28+,29-,30+/m0/s1
InChIKeyHDQNMUHADJVPDL-QOSYOKLWSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (18451550)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone II (CHEBI:205484) is a withanolide (CHEBI:74716)
IUPAC Name 
(2R)-2-[(1S)-1-[(1R,3S,5S,10S,13R,14R,17R)-1,3-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
78437294ChemSpider