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Methyl 3-oxo-7-labden-15-oate
SpectraBase Compound ID IILd5RrRbD1
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h8,14,16-17H,7,9-13H2,1-6H3/t14-,16-,17-,21+/m0/s1
InChIKey WONSMFXLYXZLQI-WFNJMBFTSA-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 4mH2GA3GXw
Name Methyl 3-oxo-7-labden-15-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h8,14,16-17H,7,9-13H2,1-6H3/t14-,16-,17-,21+/m0/s1
InChIKey WONSMFXLYXZLQI-WFNJMBFTSA-N
Molecular Weight 334.500 g/mol
SMILES C1CC(C(C)(C)[C@]2([H])CC=C(C)[C@@]([C@@]12C)(CC[C@](C)(CC(=O)OC)[H])[H])=O
SPLASH splash10-0aba-8891000000-6f2eb9c3e3f7a817be8f
Source of Spectrum Y4-77-294-3
Synonyms Methyl (3S)-5-[(1S,4aR,8aR)-2,5,5,8a-tetramethyl-6-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoate
Wiley ID 1512935