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(-)-(A-B)-8-BETA,14-ALPHA-DIBENZOYLOXY-N-METHYL-3-ALPHA,13-BETA,15-ALPHA-TRIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
SpectraBase Compound ID DlXaTgixszJ
InChI InChI=1S/C38H47NO11/c1-39-18-35(19-45-2)23(40)16-24(46-3)37-22-17-36(44)31(49-33(42)20-12-8-6-9-13-20)25(22)38(30(41)32(36)48-5,26(29(37)39)27(47-4)28(35)37)50-34(43)21-14-10-7-11-15-21/h6-15,22-32,40-41,44H,16-19H2,1-5H3/t22-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+,35+,36-,37+,38-/m1/s1
InChIKey FKNAFVNSRLXKCG-GSCZSJQSSA-N
Mol Weight 693.8 g/mol
Molecular Formula C38H47NO11
Exact Mass 693.314911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aw0qmyP0aa
Name (-)-(A-B)-8-BETA,14-ALPHA-DIBENZOYLOXY-N-METHYL-3-ALPHA,13-BETA,15-ALPHA-TRIHYDROXY-1-ALPHA,6-ALPHA,16-BETA,18-TETRAMETHOXYACONITANE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H47NO11
InChI InChI=1S/C38H47NO11/c1-39-18-35(19-45-2)23(40)16-24(46-3)37-22-17-36(44)31(49-33(42)20-12-8-6-9-13-20)25(22)38(30(41)32(36)48-5,26(29(37)39)27(47-4)28(35)37)50-34(43)21-14-10-7-11-15-21/h6-15,22-32,40-41,44H,16-19H2,1-5H3/t22-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+,35+,36-,37+,38-/m1/s1
InChIKey FKNAFVNSRLXKCG-GSCZSJQSSA-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 693.791 g/mol
Sample ID 41160
Solvent ACETONE-D6