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CHEBI:218747 - methyl antcinate G

ChEBI IDCHEBI:218747
ChEBI Namemethyl antcinate G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O6
Net Charge0
Average Mass526.714
Monoisotopic Mass526.32944
SMILESC=C(CCC(C)C1CC[C@H]2C3=C(C(=O)CC12C)C1(C)CCC(=O)[C@@H](C)C1C[C@H]3OC(C)=O)C(C)C(=O)OC
InChIInChI=1S/C32H46O6/c1-17(19(3)30(36)37-8)9-10-18(2)22-11-12-23-28-27(38-21(5)33)15-24-20(4)25(34)13-14-31(24,6)29(28)26(35)16-32(22,23)7/h18-20,22-24,27H,1,9-16H2,2-8H3/t18?,19?,20-,22?,23-,24?,27+,31?,32?/m0/s1
InChIKeyOQSIHFQGHSHRHF-SLKUILBDSA-N
Species of MetaboliteComponentSourceComments
Antrodia cinnamomea (ncbitaxon:279009) - DOI (10.1016/0031-9422(95)00541-2)
ChEBI Ontology
Outgoing Relation(s)
methyl antcinate G (CHEBI:218747) is a ergostanoid (CHEBI:50403)
IUPAC Name 
methyl 6-[(4S,7R,14R)-7-acetyloxy-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate
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