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(5S-Acetoxy-3R-tigloxy-7-hydroxy)-(p-menth-6-en-2-one, (S)), tms derivative
SpectraBase Compound ID CqEtSxSKYmq
InChI InChI=1S/C20H32O6Si/c1-9-13(4)20(23)26-19-17(12(2)3)16(25-14(5)21)10-15(18(19)22)11-24-27(6,7)8/h9-10,12,16-17,19H,11H2,1-8H3/b13-9+/t16-,17-,19+/m0/s1
InChIKey ZRUGUCACDVRRPN-HCWMHUGKSA-N
Mol Weight 396.6 g/mol
Molecular Formula C20H32O6Si
Exact Mass 396.196815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeSHlIPnkB8
Name (5S-Acetoxy-3R-tigloxy-7-hydroxy)-(p-menth-6-en-2-one, (S)), tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 396.196815279 u
Formula C20H32O6Si
InChI InChI=1S/C20H32O6Si/c1-9-13(4)20(23)26-19-17(12(2)3)16(25-14(5)21)10-15(18(19)22)11-24-27(6,7)8/h9-10,12,16-17,19H,11H2,1-8H3/b13-9+/t16-,17-,19+/m0/s1
InChIKey ZRUGUCACDVRRPN-HCWMHUGKSA-N
Molecular Weight 396.555 g/mol
SMILES C[Si](C)(C)OCC=1C(=O)[C@](OC(\C(=C\C)C)=O)([C@@](C(C)C)([C@@](OC(C)=O)(C1)[H])[H])[H]