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

*Links on SpectraBase are not permalinks.

3-Acetyl-dihydro-tomatidine

View entire compound with spectra: 1 NMR

3-Acetyl-dihydro-tomatidine
SpectraBase Compound ID AzHV7iiNgcL
InChI InChI=1S/C29H49NO3/c1-17-6-9-25(30-16-17)18(2)27-26(32)15-24-22-8-7-20-14-21(33-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-27,30,32H,6-16H2,1-5H3
InChIKey PACYKDAXSFLIHP-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 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 7TUT1I4nZ9V
Name 3-Acetyl-dihydro-tomatidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.371244439 u
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-17-6-9-25(30-16-17)18(2)27-26(32)15-24-22-8-7-20-14-21(33-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-27,30,32H,6-16H2,1-5H3
InChIKey PACYKDAXSFLIHP-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES CC1CNC(CC1)C(C)C1C(O)CC2C1(C)CCC1C3(C)CCC(OC(=O)C)CC3CCC21