CHEBI:209889 - 11-hydroxychevalone C

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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 11-hydroxychevalone C
ChEBI ID CHEBI:209889
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O6
Net Charge 0
Average Mass 472.622
Monoisotopic Mass 472.28249
InChI InChI=1S/C28H40O6/c1-15-12-18(30)17-13-21-27(6)10-8-20-25(3,4)22(33-16(2)29)9-11-26(20,5)23(27)19(31)14-28(21,7)34-24(17)32-15/h12,19-23,31H,8-11,13-14H2,1-7H3/t19-,20-,21-,22-,23+,26-,27-,28-/m0/s1
InChIKey NDYYUGTUMVYXLJ-ZMYDXMQPSA-N
SMILES O=C1C2=C(OC(=C1)C)O[C@]3(C[C@H](O)[C@H]4[C@]([C@@H]3C2)(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing 11-hydroxychevalone C (CHEBI:209889) is a organic heterotricyclic compound (CHEBI:26979)
11-hydroxychevalone C (CHEBI:209889) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(1R,2S,11S,13S,14R,15S,18S,20R)-13-hydroxy-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
78442073 ChemSpider
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