CHEBI:181207 - Chevalone C

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ChEBI Name Chevalone C
ChEBI ID CHEBI:181207
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(30)18-15-22-27(6)11-8-20-25(3,4)23(32-17(2)29)10-12-26(20,5)21(27)9-13-28(22,7)33-24(18)31-16/h14,20-23H,8-13,15H2,1-7H3/t20-,21+,22-,23-,26-,27+,28-/m0/s1
InChIKey ASOIHOGDYISNRH-GPTGPEQGSA-N
SMILES O1[C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C([C@@H](OC(=O)C)CC4)(C)C)(CC3)[H])C)(CC2)[H])C)(CC5=C1OC(=CC5=O)C)[H])C
ChEBI Ontology
Outgoing Chevalone C (CHEBI:181207) is a organic heterotricyclic compound (CHEBI:26979)
Chevalone C (CHEBI:181207) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,2S,11S,14R,15R,18S,20R)-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 Xref Database
65104356 ChemSpider
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