CHEBI:217376 - Chevalone B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chevalone B
ChEBI ID CHEBI:217376
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O5
Net Charge 0
Average Mass 456.623
Monoisotopic Mass 456.28757
InChI InChI=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
InChIKey IRSLQXSSQAASGV-GPTGPEQGSA-N
SMILES O=C1OC(=CC2=C1C[C@H]3[C@]4([C@@H]([C@@]5([C@H](C([C@@H](OC(=O)C)CC5)(C)C)CC4)C)CC[C@@]3(O2)C)C)C
Metabolite of Species Details
Aspergillus chevalieri (NCBI:txid182096) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
68004052 ChemSpider
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