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Hypaconitine
SpectraBase Compound ID DHKDwbP86FY
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-VWHBUUHZSA-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 Cqqv6LE3COb
Name HYPACONITINE
Compound Number 6
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-VWHBUUHZSA-N
Literature Reference Author F.GAO,Y.Y.LI,D.WANG,X.HUANG,Q.LIU
Literature Reference Citation MOLECULES,17,5187(2012)
Literature Reference DOI 10.3390/molecules17055187
Molecular Weight 615.721 g/mol
Sample ID 1100
Solvent CDCl3