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2'-O-ACETYL-3''-O-METHYL-CONANDROSIDE;AESCHYNANTHOSIDE-B
SpectraBase Compound ID BAwVyVzqpvn
InChI InChI=1S/C31H38O16/c1-15(33)44-29-28(47-30-26(40)25(39)21(37)14-43-30)27(46-24(38)8-5-16-4-7-19(35)22(12-16)41-2)23(13-32)45-31(29)42-10-9-17-3-6-18(34)20(36)11-17/h3-8,11-12,21,23,25-32,34-37,39-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,23+,25+,26-,27+,28-,29+,30+,31+/m1/s1
InChIKey IHQXJVRKJYICLN-PWQUYRNYSA-N
Mol Weight 666.6 g/mol
Molecular Formula C31H38O16
Exact Mass 666.215985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EwHyUolgNo
Name 2'-O-ACETYL-3''-O-METHYL-CONANDROSIDE;AESCHYNANTHOSIDE-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O16
InChI InChI=1S/C31H38O16/c1-15(33)44-29-28(47-30-26(40)25(39)21(37)14-43-30)27(46-24(38)8-5-16-4-7-19(35)22(12-16)41-2)23(13-32)45-31(29)42-10-9-17-3-6-18(34)20(36)11-17/h3-8,11-12,21,23,25-32,34-37,39-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,23+,25+,26-,27+,28-,29+,30+,31+/m1/s1
InChIKey IHQXJVRKJYICLN-PWQUYRNYSA-N
Literature Reference Author S.M.LI,X.W.YANG,Y.H.SHEN,L.FENG,Y.H.WANG,H.W.ZENG,X.H.LIU,J. M.TIAN,Y.N.SHI,C.L.L
Literature Reference Citation PHYTOCHEM.,69,2200(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.05.012
Molecular Weight 666.633 g/mol
Sample ID 63743
Solvent CD3OD