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CHEBI:203218 - Citreohybridone F

ChEBI IDCHEBI:203218
ChEBI NameCitreohybridone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O9
Net Charge0
Average Mass558.668
Monoisotopic Mass558.28288
SMILESCOC(=O)[C@@]12CC[C@H](OC(C)=O)C(C)(C)C1CC[C@@]1(C)C2C=C(C)[C@@]2(C)C(=O)C(C)=C(OC(C)=O)[C@]21C(=O)OC
InChIInChI=1S/C31H42O9/c1-16-15-21-28(7,31(26(36)38-10)24(40-19(4)33)17(2)23(34)29(16,31)8)13-11-20-27(5,6)22(39-18(3)32)12-14-30(20,21)25(35)37-9/h15,20-22H,11-14H2,1-10H3/t20?,21?,22-,28-,29-,30-,31+/m0/s1
InChIKeyHEXQKOABEQXENF-XZRVZJGFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridone F (CHEBI:203218) is a steroid ester (CHEBI:47880)
IUPAC Name 
dimethyl (3S,8S,10S,13R,14R)-3,15-diacetyloxy-4,4,8,12,13,16-hexamethyl-17-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-10,14-dicarboxylate
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