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Asperilin, tms derivative

View entire compound with spectra: 1 NMR

Asperilin, tms derivative
SpectraBase Compound ID KED5UEutrg3
InChI InChI=1S/C18H28O3Si/c1-11-7-8-16(21-22(4,5)6)18(3)10-15-13(9-14(11)18)12(2)17(19)20-15/h13-16H,1-2,7-10H2,3-6H3/t13-,14+,15-,16-,18-/m1/s1
InChIKey JWLKAZIDUWPPOG-ORDFZIBCSA-N
Mol Weight 320.5 g/mol
Molecular Formula C18H28O3Si
Exact Mass 320.180771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jeWm0R7tal
Name Asperilin, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 320.180771294 u
Formula C18H28O3Si
InChI InChI=1S/C18H28O3Si/c1-11-7-8-16(21-22(4,5)6)18(3)10-15-13(9-14(11)18)12(2)17(19)20-15/h13-16H,1-2,7-10H2,3-6H3/t13-,14+,15-,16-,18-/m1/s1
InChIKey JWLKAZIDUWPPOG-ORDFZIBCSA-N
Molecular Weight 320.504 g/mol
SMILES [C@]12(OC(C([C@]2(C[C@@]2([C@](C1)(C)[C@@](CCC2=C)(O[Si](C)(C)C)[H])[H])[H])=C)=O)[H]