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CHEBI:174992 - 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

ChEBI IDCHEBI:174992
ChEBI Name9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESC=C1C(OC(=O)C=C(C)C)CC(C(C)C)C2C1CC(=O)C2C(C)OC(C)=O
InChIInChI=1S/C22H32O5/c1-11(2)8-20(25)27-19-10-16(12(3)4)22-17(13(19)5)9-18(24)21(22)14(6)26-15(7)23/h8,12,14,16-17,19,21-22H,5,9-10H2,1-4,6-7H3
InChIKeyVUQPPZBQPRNJCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate (CHEBI:174992) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] 3-methylbut-2-enoate
Manual XrefsDatabases
HMDB0040956HMDB
35015059ChemSpider