CHEBI:175489 - 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one

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ChEBI Name 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
ChEBI ID CHEBI:175489
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H38O5
Net Charge 0
Average Mass 430.585
Monoisotopic Mass 430.27192
InChI InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-
InChIKey XTQQLVJPORCMAK-XIMUYODMSA-N
SMILES O(C1C2C(C(CC(OC(=O)/C=C(/CC)\C)C2=C)C(C)C)/C(/C1=O)=C/C)C(=O)C(CC)C
ChEBI Ontology
Outgoing 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one (CHEBI:175489) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1Z)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
Manual Xrefs Databases
35015068 ChemSpider
HMDB0040994 HMDB
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