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(12S)-13,14,15,16-Tetranor-8.alpha.,12-epoxy-12-labdanol
SpectraBase Compound ID 3nNa4PnV1iY
InChI InChI=1S/C16H28O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-13,17H,5-10H2,1-4H3/t11?,12-,13+,15+,16-/m1/s1
InChIKey UZSSRRVZGDVPRE-LSMPXOGUSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MgV1Oir6v8
Name (12S)-13,14,15,16-Tetranor-8.alpha.,12-epoxy-12-labdanol
Comments Computed using HOSE algorithm
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Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-13,17H,5-10H2,1-4H3/t11?,12-,13+,15+,16-/m1/s1
InChIKey UZSSRRVZGDVPRE-LSMPXOGUSA-N
Molecular Weight 252.398 g/mol
SMILES [C@]12([C@@]3([C@@](O[C@@](C3)(O)[H])(C)CCC1C(C)(C)CCC2)[H])C