CHEBI:181614 - [5-(5,5,8a-trimethyl-2-methylidene-7-oxo-1,3,4,4a,6,8-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate

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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 [5-(5,5,8a-trimethyl-2-methylidene-7-oxo-1,3,4,4a,6,8-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate
ChEBI ID CHEBI:181614
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O3
Net Charge 0
Average Mass 348.527
Monoisotopic Mass 348.26645
InChI InChI=1S/C22H36O3/c1-15(11-12-25-17(3)23)7-9-19-16(2)8-10-20-21(4,5)13-18(24)14-22(19,20)6/h15,19-20H,2,7-14H2,1,3-6H3
InChIKey LZGVQJDYLAUCGI-UHFFFAOYSA-N
SMILES O=C1CC2(C(C(C1)(C)C)CCC(C2CCC(CCOC(=O)C)C)=C)C
ChEBI Ontology
Outgoing [5-(5,5,8a-trimethyl-2-methylidene-7-oxo-1,3,4,4a,6,8-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate (CHEBI:181614) is a diterpenoid (CHEBI:23849)
IUPAC Name
[5-(5,5,8a-trimethyl-2-methylidene-7-oxo-1,3,4,4a,6,8-hexahydronaphthalen-1-yl)-3-methylpentyl] acetate
Manual Xref Database
29814842 ChemSpider
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