CHEBI:209889 - 11-hydroxychevalone C

ChEBI IDCHEBI:209889
ChEBI Name11-hydroxychevalone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H](O)C[C@]4(C)Oc5oc(C)cc(=O)c5C[C@H]4[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C28H40O6/c1-15-12-18(30)17-13-21-27(6)10-8-20-25(3,4)22(33-16(2)29)9-11-26(20,5)23(27)19(31)14-28(21,7)34-24(17)32-15/h12,19-23,31H,8-11,13-14H2,1-7H3/t19-,20-,21-,22-,23+,26-,27-,28-/m0/s1
InChIKeyNDYYUGTUMVYXLJ-ZMYDXMQPSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27680770)
ChEBI Ontology
Outgoing Relation(s)
11-hydroxychevalone C (CHEBI:209889) is a organic heterotricyclic compound (CHEBI:26979)
11-hydroxychevalone C (CHEBI:209889) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,11S,13S,14R,15S,18S,20R)-13-hydroxy-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate
Manual XrefsDatabases
78442073ChemSpider