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LYCACONITINE
SpectraBase Compound ID 1InJP5eVEaJ
InChI InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20?,21?,23-,24-,27?,28?,29?,30?,32?,33-,34+,35-,36?/m0/s1
InChIKey KFXVNXQXPRPLQA-OITHTSALSA-N
Mol Weight 668.8 g/mol
Molecular Formula C36H48N2O10
Exact Mass 668.330896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtV6UzxJJkP
Name LYCACONITINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48N2O10
InChI InChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20?,21?,23-,24-,27?,28?,29?,30?,32?,33-,34+,35-,36?/m0/s1
InChIKey KFXVNXQXPRPLQA-OITHTSALSA-N
Literature Reference Author J.M.JACYNO,J.S.HARWOOD,N.H.LIN,J.E.CAMPBELL,J.P.SULLIVAN,M.W .HOLLADAY
Literature Reference Citation J.NAT.PROD.,59,707(1996)
Literature Reference DOI 10.1021/np960352c
Molecular Weight 668.785 g/mol
Solvent CDCl3
Source File Reference UWCS15283