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CHEBI:225927 - Colobetaolactone VII

Default Structure
ChEBI IDCHEBI:225927
ChEBI NameColobetaolactone VII
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O7
Net Charge0
Average Mass558.756
Monoisotopic Mass558.35565
SMILESCOC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)C3CC=C(C)C(=O)O3)[C@@]1(C)CC2
InChIInChI=1S/C33H50O7/c1-20-9-11-26(40-29(20)36)21(2)23-13-16-32(7)24-10-12-27(30(4,5)37)33(19-39-22(3)34,18-15-28(35)38-8)25(24)14-17-31(23,32)6/h9,21,23,26-27,37H,10-19H2,1-8H3/t21-,23+,26?,27-,31+,32-,33-/m0/s1
InChIKeyYIMPDIICGCPBOQ-SDKOZOBTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (18547117)
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone VII (CHEBI:225927) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 3-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-3a,9b-dimethyl-3-[(1S)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-6-yl]propanoate
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78437792ChemSpider