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CHEBI:210558 - 15-deacetylated citreohybridone E

ChEBI IDCHEBI:210558
ChEBI Name15-deacetylated citreohybridone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O8
Net Charge0
Average Mass502.604
Monoisotopic Mass502.25667
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]3(C(=O)O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C
InChIInChI=1S/C28H38O8/c1-14-13-18-25(6,28(23(34)35-8)21(31)15(2)20(30)26(14,28)7)11-9-17-24(4,5)19(36-16(3)29)10-12-27(17,18)22(32)33/h13,17-19,30H,9-12H2,1-8H3,(H,32,33)/t17-,18-,19+,25+,26+,27+,28-/m1/s1
InChIKeyIIAVWNADOABJOD-UOHNCGBGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30605783)
ChEBI Ontology
Outgoing Relation(s)
15-deacetylated citreohybridone E (CHEBI:210558) is a steroid ester (CHEBI:47880)
IUPAC Name 
(3S,5R,8S,9R,10S,13R,14R)-3-acetyloxy-17-hydroxy-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid