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3-Keto-N-acetyl-dihydro-pseudotomatidine

View entire compound with spectra: 1 NMR

3-Keto-N-acetyl-dihydro-pseudotomatidine
SpectraBase Compound ID DNWjna1N62q
InChI InChI=1S/C29H47NO3/c1-17(16-30-19(3)31)6-9-25-18(2)27-26(33-25)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20,22-27H,6-16H2,1-5H3,(H,30,31)
InChIKey SPVIENZCZXCSRQ-UHFFFAOYSA-N
Mol Weight 457.7 g/mol
Molecular Formula C29H47NO3
Exact Mass 457.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DI9m7yNA8Ms
Name 3-Keto-N-acetyl-dihydro-pseudotomatidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.355594374 u
Formula C29H47NO3
InChI InChI=1S/C29H47NO3/c1-17(16-30-19(3)31)6-9-25-18(2)27-26(33-25)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20,22-27H,6-16H2,1-5H3,(H,30,31)
InChIKey SPVIENZCZXCSRQ-UHFFFAOYSA-N
Molecular Weight 457.699 g/mol
SMILES C(=O)(C)NCC(C)CCC1C(C2C3(C)CCC4C5(C)CCC(CC5CCC4C3CC2O1)=O)C