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CHEBI:210596 - 1-acetoxychevalone C

ChEBI IDCHEBI:210596
ChEBI Name1-acetoxychevalone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESCC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)Oc4oc(C)cc(=O)c4C[C@@H]32)C1(C)C
InChIInChI=1S/C30H42O7/c1-16-13-20(33)19-14-23-28(6)11-9-21-27(4,5)24(35-17(2)31)15-25(36-18(3)32)30(21,8)22(28)10-12-29(23,7)37-26(19)34-16/h13,21-25H,9-12,14-15H2,1-8H3/t21-,22-,23-,24-,25+,28+,29-,30-/m0/s1
InChIKeyVPBJICBXNDLSCK-AWQWWIMYSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27680770)
ChEBI Ontology
Outgoing Relation(s)
1-acetoxychevalone C (CHEBI:210596) is a organic heterotricyclic compound (CHEBI:26979)
1-acetoxychevalone C (CHEBI:210596) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,11S,14S,15R,16R,18S,20S)-16-acetyloxy-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
78442038ChemSpider