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(-)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-3-ALPHA,10-BETA,13-BETA,15-ALPHA-TETRAHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
SpectraBase Compound ID FsVlDzQtTAd
InChI InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
InChIKey GMSKTJVHWUUOMY-CGYMCTSDSA-N
Mol Weight 661.7 g/mol
Molecular Formula C34H47NO12
Exact Mass 661.309826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6psKX2nIjUw
Name (-)-(A-B)-8-BETA-ACETOXY-14-ALPHA-BENZOYLOXY-N-ETHYL-3-ALPHA,10-BETA,13-BETA,15-ALPHA-TETRAHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H47NO12
InChI InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22+,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
InChIKey GMSKTJVHWUUOMY-CGYMCTSDSA-N
Literature Reference Author B.JIANG,S.LIN,C.ZHU,S.WANG,Y.WANG,M.CHEN,J.ZHANG,J.HU,N.CHEN ,Y.YANG,J.SHI
Literature Reference Citation J.NAT.PROD.,75,1145(2012)
Literature Reference DOI 10.1021/np300225t
Molecular Weight 661.747 g/mol
Sample ID 41148
Solvent ACETONE-D6