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CHEBI:222654 - Isocitreohybridone H

ChEBI IDCHEBI:222654
ChEBI NameIsocitreohybridone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILESCCOC1=C(C)C(=O)[C@]2(C(=O)OC)[C@@]1(C)C(C)=CC1[C@]34CC[C@H](OC(C)=O)C(C)(C)C3[C@H](C[C@@]12C)OC4=O
InChIInChI=1S/C30H40O8/c1-10-36-23-16(3)22(32)30(25(34)35-9)27(7)14-18-21-26(5,6)20(37-17(4)31)11-12-29(21,24(33)38-18)19(27)13-15(2)28(23,30)8/h13,18-21H,10-12,14H2,1-9H3/t18-,19?,20-,21?,27-,28-,29+,30+/m0/s1
InChIKeyDGIQHLVTLYHMDO-YWRAGVHASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Isocitreohybridone H (CHEBI:222654) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1R,5R,9R,10S,12S,15S)-15-acetyloxy-6-ethoxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
Manual XrefsDatabases
78443587ChemSpider