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(2.beta., 5.xi., 9.xi.)-Kaur-16-ene-2,18,19-triol, 3tms derivative

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(2.beta., 5.xi., 9.xi.)-Kaur-16-ene-2,18,19-triol, 3tms derivative
SpectraBase Compound ID KTRj7mDNph2
InChI InChI=1S/C29H56O3Si3/c1-22-16-28-15-14-26-27(2,25(28)13-12-23(22)17-28)18-24(32-35(9,10)11)19-29(26,20-30-33(3,4)5)21-31-34(6,7)8/h23-26H,1,12-21H2,2-11H3/t23-,24+,25?,26?,27+,28-/m1/s1
InChIKey KMXQFWFSAOYGII-MZKNUPIQSA-N
Mol Weight 537.0 g/mol
Molecular Formula C29H56O3Si3
Exact Mass 536.353725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxPNSrGYBlX
Name (2.beta., 5.xi., 9.xi.)-Kaur-16-ene-2,18,19-triol, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 536.353725265 u
Formula C29H56O3Si3
InChI InChI=1S/C29H56O3Si3/c1-22-16-28-15-14-26-27(2,25(28)13-12-23(22)17-28)18-24(32-35(9,10)11)19-29(26,20-30-33(3,4)5)21-31-34(6,7)8/h23-26H,1,12-21H2,2-11H3/t23-,24+,25?,26?,27+,28-/m1/s1
InChIKey KMXQFWFSAOYGII-MZKNUPIQSA-N
Molecular Weight 537.019 g/mol
SMILES C=C1[C@]2(C[C@@]3(CCC4C(C[C@](C[C@@]4(C)C3CC2)(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)CO[Si](C)(C)C)C1)[H]