For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

o,N-Diacetyl-22-desoxytomatillidine

View entire compound with spectra: 1 NMR

o,N-Diacetyl-22-desoxytomatillidine
SpectraBase Compound ID GXqouUgehKc
InChI InChI=1S/C31H49NO3/c1-19-15-24(32(18-19)21(3)33)16-20(2)27-9-10-28-26-8-7-23-17-25(35-22(4)34)11-13-30(23,5)29(26)12-14-31(27,28)6/h7,19-20,24-29H,8-18H2,1-6H3
InChIKey SAGSMDKENFCIQH-UHFFFAOYSA-N
Mol Weight 483.7 g/mol
Molecular Formula C31H49NO3
Exact Mass 483.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5hWsjZejCMj
Name o,N-Diacetyl-22-desoxytomatillidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.371244439 u
Formula C31H49NO3
InChI InChI=1S/C31H49NO3/c1-19-15-24(32(18-19)21(3)33)16-20(2)27-9-10-28-26-8-7-23-17-25(35-22(4)34)11-13-30(23,5)29(26)12-14-31(27,28)6/h7,19-20,24-29H,8-18H2,1-6H3
InChIKey SAGSMDKENFCIQH-UHFFFAOYSA-N
Molecular Weight 483.737 g/mol
SMILES CC(=O)N1CC(C)CC1CC(C)C1CCC2C1(C)CCC1C3(C)CCC(OC(=O)C)CC3=CCC21