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CHEBI:226387 - 1,11-dihydroxychevalone C

ChEBI IDCHEBI:226387
ChEBI Name1,11-dihydroxychevalone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H](O)C[C@]2(C)Oc4oc(C)cc(=O)c4C[C@@H]32)C1(C)C
InChIInChI=1S/C28H40O7/c1-14-10-17(30)16-11-20-26(5)9-8-19-25(3,4)22(34-15(2)29)12-21(32)28(19,7)23(26)18(31)13-27(20,6)35-24(16)33-14/h10,18-23,31-32H,8-9,11-13H2,1-7H3/t18-,19-,20-,21+,22-,23-,26-,27-,28+/m0/s1
InChIKeyJAIMGPMKHPKLLV-ZCFSWDOTSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27680770)
ChEBI Ontology
Outgoing Relation(s)
1,11-dihydroxychevalone C (CHEBI:226387) is a organic heterotricyclic compound (CHEBI:26979)
1,11-dihydroxychevalone C (CHEBI:226387) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,11S,13S,14S,15S,16R,18S,20S)-13,16-dihydroxy-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
78442098ChemSpider