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Hypaconitine
SpectraBase Compound ID 62MrMeNImTJ
InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20-,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey FIDOCHXHMJHKRW-WYOLTARLSA-N
Mol Weight 615.7 g/mol
Molecular Formula C33H45NO10
Exact Mass 615.304347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zxjST1nAz3
Name HYPACONITINE
Compound Number II
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H45NO10
InChI InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20-,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey FIDOCHXHMJHKRW-WYOLTARLSA-N
Literature Reference Author D.LIU,X.SHU,X.WANG,L.FANG,L.HUANG,X.XI,Z.ZHENG
Literature Reference Citation QUIM.NOVA,36,1366(2013)
Literature Reference DOI 10.1590/s0100-40422013000900015
Molecular Weight 615.721 g/mol
Solvent CD3OD
Source File Reference UWIR12037