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17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, dimethyl ester, (15.beta.)-(.+-.)-
SpectraBase Compound ID Cyc1BZ1CZ2f
InChI InChI=1S/C24H28N2O7/c1-13(27)33-12-14-10-20-21-16(15-6-4-5-7-19(15)25-21)8-9-26(20)22(28)17(14)11-18(23(29)31-2)24(30)32-3/h4-7,14,17-18,20,25H,8-12H2,1-3H3/t14-,17-,20+/m1/s1
InChIKey PNMHDUVLQFYDNX-ZTQAJYAQSA-N
Mol Weight 456.5 g/mol
Molecular Formula C24H28N2O7
Exact Mass 456.189651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cgpcgy7BAoT
Name 17-Norcorynan-18,18-dicarboxylic acid, 16-(acetyloxy)-21-oxo-, dimethyl ester, (15.beta.)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.189651243 u
Formula C24H28N2O7
InChI InChI=1S/C24H28N2O7/c1-13(27)33-12-14-10-20-21-16(15-6-4-5-7-19(15)25-21)8-9-26(20)22(28)17(14)11-18(23(29)31-2)24(30)32-3/h4-7,14,17-18,20,25H,8-12H2,1-3H3/t14-,17-,20+/m1/s1
InChIKey PNMHDUVLQFYDNX-ZTQAJYAQSA-N
Molecular Weight 456.495 g/mol
SMILES C=12[C@]3(N(C(=O)[C@@]([C@](C3)(COC(=O)C)[H])(CC(C(=O)OC)C(=O)OC)[H])CCC1C1=CC=CC=C1N2)[H]