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7-.alpha.-Methoxyabieta-8,11,13-trien-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-.alpha.-Methoxyabieta-8,11,13-trien-3-one
SpectraBase Compound ID GeTVaYLv5sJ
InChI InChI=1S/C21H30O2/c1-13(2)14-7-8-16-15(11-14)17(23-6)12-18-20(3,4)19(22)9-10-21(16,18)5/h7-8,11,13,17-18H,9-10,12H2,1-6H3/t17-,18?,21-/m1/s1
InChIKey OPIAFXNAHLTZEQ-IIAQOEISSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9P5r319RvA
Name 7-.alpha.-Methoxyabieta-8,11,13-trien-3-one
Comments Computed using HOSE algorithm
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Exact Mass 314.224580204 u
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-13(2)14-7-8-16-15(11-14)17(23-6)12-18-20(3,4)19(22)9-10-21(16,18)5/h7-8,11,13,17-18H,9-10,12H2,1-6H3/t17-,18?,21-/m1/s1
InChIKey OPIAFXNAHLTZEQ-IIAQOEISSA-N
Molecular Weight 314.469 g/mol
SMILES [C@@]12(C(C(C)(C)C(CC2)=O)C[C@](C2=C1C=CC(C(C)C)=C2)(OC)[H])C