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N,O-DIACETYLTOMATIDINE=(25S)-N-ACETYL-3-BETA-ACETOXY-5-ALPHA,22-BETA-N-SPIROSOLAN
SpectraBase Compound ID CIIXFwj5tiW
InChI InChI=1S/C31H49NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h18-19,22-28H,7-17H2,1-6H3/t18-,19-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChIKey XBYGONLLFUVZNC-VRUMTIBZSA-N
Mol Weight 499.7 g/mol
Molecular Formula C31H49NO4
Exact Mass 499.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wEH5Xyz8vO
Name N,O-DIACETYLTOMATIDINE=(25S)-N-ACETYL-3-BETA-ACETOXY-5-ALPHA,22-BETA-N-SPIROSOLAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H49NO4
InChI InChI=1S/C31H49NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h18-19,22-28H,7-17H2,1-6H3/t18-,19-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChIKey XBYGONLLFUVZNC-VRUMTIBZSA-N
Literature Reference Author G.J.BIRD,D.J.COLLINS,F.W.EASTWOOD,R.H.EXNER
Literature Reference Citation AUSTR.J.CHEM.,32,797(1979)
Literature Reference DOI 10.1071/ch9790797
Molecular Weight 499.734 g/mol
Solvent CDCl3
Source File Reference UNIW17304