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N-DEETHYL-CRASSICAULINE-A

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N-DEETHYL-CRASSICAULINE-A
SpectraBase Compound ID 7aohYV4T8eu
InChI InChI=1S/C33H45NO10/c1-17(35)44-32-14-22(41-5)31(37)13-20(23(32)28(31)43-29(36)18-7-9-19(39-3)10-8-18)33-21(40-4)11-12-30(16-38-2)15-34-27(33)24(32)25(42-6)26(30)33/h7-10,20-28,34,37H,11-16H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,30-,31+,32-,33+/m1/s1
InChIKey OFJYZHXLHGLLCA-AOSWTLSQSA-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 7nWBBfVB4Q4
Name N-DEETHYL-CRASSICAULINE-A
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)44-32-14-22(41-5)31(37)13-20(23(32)28(31)43-29(36)18-7-9-19(39-3)10-8-18)33-21(40-4)11-12-30(16-38-2)15-34-27(33)24(32)25(42-6)26(30)33/h7-10,20-28,34,37H,11-16H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,30-,31+,32-,33+/m1/s1
InChIKey OFJYZHXLHGLLCA-AOSWTLSQSA-N
Literature Reference Author J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG
Literature Reference Citation CHEM.PHARM.BULL.,57,801(2009)
Literature Reference DOI 10.1248/cpb.57.801
Molecular Weight 615.721 g/mol
Sample ID 2813
Solvent CDCl3