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CHEBI:217376 - Chevalone B

ChEBI IDCHEBI:217376
ChEBI NameChevalone B
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SubmitterMetaboLights
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FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)Oc5cc(C)oc(=O)c5C[C@H]4[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C28H40O5/c1-16-14-19-18(24(30)31-16)15-22-27(6)11-8-20-25(3,4)23(32-17(2)29)10-12-26(20,5)21(27)9-13-28(22,7)33-19/h14,20-23H,8-13,15H2,1-7H3/t20-,21+,22-,23-,26-,27+,28-/m0/s1
InChIKeyIRSLQXSSQAASGV-GPTGPEQGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus chevalieri (ncbitaxon:182096) - DOI (10.1016/j.tet.2011.05.066)
ChEBI Ontology
Outgoing Relation(s)
Chevalone B (CHEBI:217376) is a organic heterotricyclic compound (CHEBI:26979)
Chevalone B (CHEBI:217376) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-6,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),7-dien-18-yl] acetate
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68004052ChemSpider