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17-Hydroxy-15-kauren-19-oic acid, 2tms
SpectraBase Compound ID 2C8cqOHfqtQ
InChI InChI=1S/C26H46O3Si2/c1-24-13-9-14-25(2,23(27)29-31(6,7)8)21(24)12-15-26-16-19(10-11-22(24)26)20(17-26)18-28-30(3,4)5/h17,19,21-22H,9-16,18H2,1-8H3/t19?,21?,22?,24-,25-,26?/m0/s1
InChIKey GUDSRBUTCLCLCV-WLONFQIRSA-N
Mol Weight 462.8 g/mol
Molecular Formula C26H46O3Si2
Exact Mass 462.298548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EwZjthnNyig
Name 17-Hydroxy-15-kauren-19-oic acid, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 462.298548408 u
Formula C26H46O3Si2
InChI InChI=1S/C26H46O3Si2/c1-24-13-9-14-25(2,23(27)29-31(6,7)8)21(24)12-15-26-16-19(10-11-22(24)26)20(17-26)18-28-30(3,4)5/h17,19,21-22H,9-16,18H2,1-8H3/t19?,21?,22?,24-,25-,26?/m0/s1
InChIKey GUDSRBUTCLCLCV-WLONFQIRSA-N
Molecular Weight 462.821 g/mol
SMILES C[Si](C)(C)OC([C@]1(CCC[C@]2(C1CCC13C2CCC(C3)C(=C1)CO[Si](C)(C)C)C)C)=O