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17-Norcorynan-18,18-dicarboxylic acid, 16-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-21-oxo-, 1,1-dimethylethyl methyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID A4JCXCoh9Qi
InChI InChI=1S/C31H46N2O6Si/c1-30(2,3)39-29(36)23(28(35)37-7)17-22-19(18-38-40(8,9)31(4,5)6)16-25-26-21(14-15-33(25)27(22)34)20-12-10-11-13-24(20)32-26/h10-13,19,22-23,25,32H,14-18H2,1-9H3
InChIKey MTPYVMBVWUSGMT-UHFFFAOYSA-N
Mol Weight 570.8 g/mol
Molecular Formula C31H46N2O6Si
Exact Mass 570.312514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8elcz8VkXbB
Name 17-Norcorynan-18,18-dicarboxylic acid, 16-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-21-oxo-, 1,1-dimethylethyl methyl ester, (3.beta.)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.312513738 u
Formula C31H46N2O6Si
InChI InChI=1S/C31H46N2O6Si/c1-30(2,3)39-29(36)23(28(35)37-7)17-22-19(18-38-40(8,9)31(4,5)6)16-25-26-21(14-15-33(25)27(22)34)20-12-10-11-13-24(20)32-26/h10-13,19,22-23,25,32H,14-18H2,1-9H3
InChIKey MTPYVMBVWUSGMT-UHFFFAOYSA-N
Molecular Weight 570.802 g/mol
SMILES C=12C3N(C(=O)C(C(C3)CO[Si](C(C)(C)C)(C)C)CC(C(OC(C)(C)C)=O)C(=O)OC)CCC1C=1C=CC=CC1N2