9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one (CHEBI:175295)

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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	9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one

ChEBI ID	CHEBI:175295

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O4

Net Charge

Average Mass

336.472

Monoisotopic Mass

336.23006

InChI

InChI=1S/C20H32O4/c1-10(2)7-18(23)24-17-9-14(11(3)4)20-15(12(17)5)8-16(22)19(20)13(6)21/h10-11,13-15,17,19-21H,5,7-9H2,1-4,6H3

InChIKey

RJNJFKDVPIFVPQ-UHFFFAOYSA-N

SMILES

O(C1CC(C2C(CC(=O)C2C(O)C)C1=C)C(C)C)C(=O)CC(C)C

ChEBI Ontology
Outgoing	9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one (CHEBI:175295) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

[1-(1-hydroxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] 3-methylbutanoate