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CUSCUTOSIDE-A;2'-HYDROXY-ASARININ-2'-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID mLCLv3S1fD
InChI InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1
InChIKey LXPONZBPYFAEOO-GULFDLELSA-N
Mol Weight 664.6 g/mol
Molecular Formula C31H36O16
Exact Mass 664.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CR8D8k23gF6
Name CUSCUTOSIDE-A;2'-HYDROXY-ASARININ-2'-O-BETA-D-APIOFURANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O16
InChI InChI=1S/C31H36O16/c32-6-22-23(34)24(35)27(47-30-28(36)31(37,9-33)10-40-30)29(46-22)45-18-5-21-20(43-12-44-21)4-14(18)26-16-8-38-25(15(16)7-39-26)13-1-2-17-19(3-13)42-11-41-17/h1-5,15-16,22-30,32-37H,6-12H2/t15-,16-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31+/m0/s1
InChIKey LXPONZBPYFAEOO-GULFDLELSA-N
Literature Reference Author S.YAHARA,H.DOMOTO,C.SUGIMURA,T.NOHARA,Y.NIIHO,Y.NAKAJIMA,H.I TO
Literature Reference Citation PHYTOCHEM.,37,1755(1994)
Literature Reference DOI 10.1016/S0031-9422(00)89605-3
Molecular Weight 664.617 g/mol
Solvent CD3OD:D2O
Source File Reference UWMS23675