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CHEBI:216184 - Deoxocitreohybridonol

ChEBI IDCHEBI:216184
ChEBI NameDeoxocitreohybridonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O7
Net Charge0
Average Mass486.605
Monoisotopic Mass486.26175
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)[C@H]3[C@H](C[C@@]12C)OC4
InChIInChI=1S/C28H38O7/c1-14-11-18-25(6,28(23(32)33-8)22(31)15(2)21(30)26(14,28)7)12-17-20-24(4,5)19(35-16(3)29)9-10-27(18,20)13-34-17/h11,17-20,30H,9-10,12-13H2,1-8H3/t17-,18+,19-,20+,25-,26-,27+,28+/m0/s1
InChIKeyYAMQPMSSNAUEDN-HGKJICHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26731665)
ChEBI Ontology
Outgoing Relation(s)
Deoxocitreohybridonol (CHEBI:216184) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1R,2R,5R,9R,10S,12S,13S,15S)-15-acetyloxy-6-hydroxy-4,5,7,10,14,14-hexamethyl-8-oxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
Manual XrefsDatabases
78439297ChemSpider