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METHYLLYCACONITINE
SpectraBase Compound ID Dy72IboTzM3
InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25-,27?,28+,29?,30+,33?,34+,35-,36+,37-/m1/s1
InChIKey XLTANAWLDBYGFU-ICBGLTLBSA-N
Mol Weight 682.8 g/mol
Molecular Formula C37H50N2O10
Exact Mass 682.346546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26288cD2MUu
Name METHYL-LYCACONITINE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H50N2O10
InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19?,21-,22?,24+,25-,27?,28+,29?,30+,33?,34+,35-,36+,37-/m1/s1
InChIKey XLTANAWLDBYGFU-ICBGLTLBSA-N
Literature Reference Author S.W.PELLETIER,N.V.MODY,R.S.SAWHNEY,J.BHATTACHARYYA
Literature Reference Citation HETEROCYCLES,7,327(1977)
Literature Reference DOI 10.3987/S-1977-01-0327
Molecular Weight 682.811 g/mol
Solvent CDCl3
Source File Reference UWRK2464