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CHEBI:197942 - Colobetaolactone VI

Default Structure
ChEBI IDCHEBI:197942
ChEBI NameColobetaolactone VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O9
Net Charge0
Average Mass616.792
Monoisotopic Mass616.36113
SMILESCOC(=O)CC[C@]1(COC(C)=O)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)CC[C@@]3(C)C2=CC[C@H]1C(C)(C)O
InChIInChI=1S/C35H52O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10-11,15,22,25,28-29,41H,12-14,16-20H2,1-9H3,(H,39,40)/b21-10-/t22-,25+,28+,29-,33+,34-,35-/m0/s1
InChIKeyIQKAWHUEZWYQHM-SGTCUYSDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (18547117)
ChEBI Ontology
Outgoing Relation(s)
Colobetaolactone VI (CHEBI:197942) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,5R,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid
Manual XrefsDatabases
23328581ChemSpider