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Methyl 5-(2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-3-methylpentanoate
SpectraBase Compound ID CafHc8pcR1Q
InChI InChI=1S/C21H34O3/c1-14(12-18(23)24-6)8-9-16-15(2)13-17(22)19-20(3,4)10-7-11-21(16,19)5/h13-14,16,19H,7-12H2,1-6H3
InChIKey QMLICBDWONMOSK-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Sa5CCFSVd
Name Methyl 5-(2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-3-methylpentanoate
CAS Registry Number 1438-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-14(12-18(23)24-6)8-9-16-15(2)13-17(22)19-20(3,4)10-7-11-21(16,19)5/h13-14,16,19H,7-12H2,1-6H3
InChIKey QMLICBDWONMOSK-UHFFFAOYSA-N
Molecular Weight 334.500 g/mol
SMILES C12(C)C(C(=O)C=C(C2CCC(CC(OC)=O)C)C)C(C)(C)CCC1
SPLASH splash10-053r-0649000000-8241d9a7212aadefe772
Source of Spectrum Va-0-0-0
Synonyms 5-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid methyl ester 5-(4-keto-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methyl-valeric acid methyl ester Labd-7-en-15-oic acid, 6-oxo-, methyl ester Methyl 5-(2,5,5,8a-tetramethyl-4-oxidanylidene-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methyl-pentanoate Methyl 5-(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)-3-methyl-pentanoate
Wiley ID 738914