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(-)-(A-B)-14-ALPHA-BENZOYLOXY-N-ETHYL-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,8-BETA,16-BETA,18-PENTAMETHOXYACONITANE
SpectraBase Compound ID 5ZGnS54wONu
InChI InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey WXQMJWAPTHUPHW-FBYRGYIKSA-N
Mol Weight 601.7 g/mol
Molecular Formula C33H47NO9
Exact Mass 601.325082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZEPkkXuRV3
Name (-)-(A-B)-14-ALPHA-BENZOYLOXY-N-ETHYL-13-BETA,15-ALPHA-DIHYDROXY-1-ALPHA,6-ALPHA,8-BETA,16-BETA,18-PENTAMETHOXYACONITANE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H47NO9
InChI InChI=1S/C33H47NO9/c1-7-34-16-30(17-38-2)14-13-20(39-3)32-19-15-31(37)27(43-29(36)18-11-9-8-10-12-18)21(19)33(42-6,26(35)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,35,37H,7,13-17H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1
InChIKey WXQMJWAPTHUPHW-FBYRGYIKSA-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 601.737 g/mol
Sample ID 41161
Solvent ACETONE-D6