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CHEBI:198374 - methyl ganoderate A acetonide

Default Structure
ChEBI IDCHEBI:198374
ChEBI Namemethyl ganoderate A acetonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O7
Net Charge0
Average Mass570.767
Monoisotopic Mass570.35565
SMILESCOC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@@H]2OC(C)(C)O[C@H]3C[C@H]4C(C)(C)C(=O)CC[C@]4(C)C4=C3[C@@]2(C)[C@]1(C)CC4=O
InChIInChI=1S/C34H50O7/c1-18(13-20(35)14-19(2)29(38)39-10)21-15-26-34(9)28-23(40-31(5,6)41-26)16-24-30(3,4)25(37)11-12-32(24,7)27(28)22(36)17-33(21,34)8/h18-19,21,23-24,26H,11-17H2,1-10H3/t18-,19-,21-,23+,24+,26+,32+,33-,34+/m1/s1
InChIKeyUPFROXHCAPHGNO-MHOQKGQJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (21924611)
ChEBI Ontology
Outgoing Relation(s)
methyl ganoderate A acetonide (CHEBI:198374) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (2R,6R)-6-[(1S,3R,8S,12R,13R,15S,20R)-4,4,8,12,17,17,20-heptamethyl-5,10-dioxo-16,18-dioxapentacyclo[10.6.2.03,8.09,19.015,20]icos-9(19)-en-13-yl]-2-methyl-4-oxoheptanoate
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