John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CwEeDW8xpww SpectraBase Spectrum ID=2BUu1nWK9A

(accessed ).
TOMATIDINE=(25S)-5-ALPHA,22-BETA-N-SPIROSOLAN-3-BETA-OL
SpectraBase Compound ID CwEeDW8xpww
InChI InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey XYNPYHXGMWJBLV-VXPJTDKGSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BUu1nWK9A
Name Tomatidine
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChIKey XYNPYHXGMWJBLV-VXPJTDKGSA-N
Literature Reference W.WILLKER,D.LEIBFRITZ MAGN.RES.CHEM.,30,645(1992)
Solvent Pyridine-d5
SpectraBase Batch ID 6B0exLlEu8Q