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CHEBI:205058 - Citreohybridone D

ChEBI IDCHEBI:205058
ChEBI NameCitreohybridone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O8
Net Charge0
Average Mass528.642
Monoisotopic Mass528.27232
SMILESCOC(=O)[C@@]12C(OC(C)=O)=C(C)C(=O)[C@]1(C)C(C)=CC1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]12C
InChIInChI=1S/C30H40O8/c1-16-14-21-27(7,12-10-20-26(5,6)22(37-18(3)32)11-13-29(20,21)15-31)30(25(35)36-9)24(38-19(4)33)17(2)23(34)28(16,30)8/h14-15,20-22H,10-13H2,1-9H3/t20?,21?,22-,27-,28-,29-,30+/m0/s1
InChIKeyTWTOOWWXNRIUHK-OSMCGPIGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridone D (CHEBI:205058) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (3S,8S,10S,13R,14R)-3,15-diacetyloxy-10-ormyl-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
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