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ISOPIMARADIEN
SpectraBase Compound ID JGnkMORqQFG
InChI InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1
InChIKey VCOVNILQQQZROK-QGZVKYPTSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpIRNkf0OPj
Name (2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C20H32
InChI InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1
InChIKey VCOVNILQQQZROK-QGZVKYPTSA-N
Molecular Weight 272.476 g/mol
SMILES [C@]12([C@@]3(C(C[C@](CC3)(C=C)C)=CC[C@]1(C(C)(C)CCC2)[H])[H])C
SPLASH splash10-0a4i-0930000000-9d7ee9a7d33080cfb94b
Source of Spectrum Va-0-0-0
Synonyms iso - pimara - 7,15 - diene (2S,4aS,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
Wiley ID 738993