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INYFADIUJOKGOR-BZLGROGESA-N
SpectraBase Compound ID Fbso3FD3N9s
InChI InChI=1S/C21H34O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h17-18H,2-3,7-14H2,1,4-6H3/t17-,18?,20+,21-/m0/s1
InChIKey INYFADIUJOKGOR-BZLGROGESA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qsjsEUWhJA
Name Methyl labda-8(17),13(16)-dien-19-oate
Alternate Name(s) Methyl (1S,4aR,5S)-5-(3-ethyl-3-butenyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylate Methyl labd-8(17),13(16)-dien-19-oate
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Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h17-18H,2-3,7-14H2,1,4-6H3/t17-,18?,20+,21-/m0/s1
InChIKey INYFADIUJOKGOR-BZLGROGESA-N
Molecular Weight 318.501 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCC([C@@]1(CCC(=C)CC)[H])=C)C
SPLASH splash10-0596-9400000000-3bda2c91750bca8c9377
Source of Spectrum Y4-89-720-12
Wiley ID 1550369