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Schizandrin, tms derivative

View entire compound with spectra: 1 NMR

Schizandrin, tms derivative
SpectraBase Compound ID KXZzy1uh7J2
InChI InChI=1S/C27H40O7Si/c1-16-12-17-13-19(28-3)23(30-5)25(32-7)21(17)22-18(15-27(16,2)34-35(9,10)11)14-20(29-4)24(31-6)26(22)33-8/h13-14,16H,12,15H2,1-11H3/t16-,27-/m0/s1
InChIKey KTLGCCREENMANQ-OQRWROFFSA-N
Mol Weight 504.7 g/mol
Molecular Formula C27H40O7Si
Exact Mass 504.25433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcVfO6QgBZV
Name Schizandrin, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 504.254330156 u
Formula C27H40O7Si
InChI InChI=1S/C27H40O7Si/c1-16-12-17-13-19(28-3)23(30-5)25(32-7)21(17)22-18(15-27(16,2)34-35(9,10)11)14-20(29-4)24(31-6)26(22)33-8/h13-14,16H,12,15H2,1-11H3/t16-,27-/m0/s1
InChIKey KTLGCCREENMANQ-OQRWROFFSA-N
Molecular Weight 504.695 g/mol
SMILES C12=C(C3=C(C[C@@]([C@](C2)(O[Si](C)(C)C)C)(C)[H])C=C(C(=C3OC)OC)OC)C(=C(C(=C1)OC)OC)OC