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Kaurane-17,18-dioic acid, 18-methyl ester, (4.alpha.,16.alpha.)-, tms
SpectraBase Compound ID BfRmlO2vV6L
InChI InChI=1S/C24H40O4Si/c1-22-11-7-12-23(2,21(26)27-3)18(22)10-13-24-14-16(8-9-19(22)24)17(15-24)20(25)28-29(4,5)6/h16-19H,7-15H2,1-6H3/t16-,17-,18+,19+,22-,23-,24+/m1/s1
InChIKey WQRAVOOHIUUMGT-BKUBRSMPSA-N
Mol Weight 420.7 g/mol
Molecular Formula C24H40O4Si
Exact Mass 420.269586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYwV9OoVnXg
Name Kaurane-17,18-dioic acid, 18-methyl ester, (4.alpha.,16.alpha.)-, tms
Comments Computed using HOSE algorithm
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Exact Mass 420.269586299 u
Formula C24H40O4Si
InChI InChI=1S/C24H40O4Si/c1-22-11-7-12-23(2,21(26)27-3)18(22)10-13-24-14-16(8-9-19(22)24)17(15-24)20(25)28-29(4,5)6/h16-19H,7-15H2,1-6H3/t16-,17-,18+,19+,22-,23-,24+/m1/s1
InChIKey WQRAVOOHIUUMGT-BKUBRSMPSA-N
Molecular Weight 420.665 g/mol
SMILES C([C@]1([C@]2(C[C@@]3(CC[C@@]4([C@@](CCC[C@@]4(C)[C@]3([H])CC2)(C(=O)OC)C)[H])C1)[H])[H])(=O)O[Si](C)(C)C