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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 EluCJzGuka4
Name SOLADULCIDINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45NO2
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 Author H.RIPPERGER,A.PORZEL
Literature Reference Citation PHYTOCHEM.,32,1607(1993)
Literature Reference DOI 10.1016/0031-9422(93)85189-X
Molecular Weight 415.660 g/mol
Solvent CDCl3
Source File Reference UWLU6696