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URARISINOSIDE-A;[(7''S,8''R)-(-)-4,4'',9,9',9''-PENTAHYDROXY-3,3',3''-TRIMETHOXY-4',8''-OXY-8,8'-SESQUINEOLIGNAN-7''-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HN9RePnqnuG
InChI InChI=1S/C36H48O15/c1-46-27-12-19(4-7-24(27)41)10-22(15-37)23(16-38)11-20-5-9-26(29(13-20)48-3)49-31(18-40)35(21-6-8-25(42)28(14-21)47-2)51-36-34(45)33(44)32(43)30(17-39)50-36/h4-9,12-14,22-23,30-45H,10-11,15-18H2,1-3H3/t22-,23-,30-,31+,32-,33+,34-,35+,36+/m1/s1
InChIKey TYADFVDUXJIKFY-MIVOZQCVSA-N
Mol Weight 720.8 g/mol
Molecular Formula C36H48O15
Exact Mass 720.299321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cV6sez0SeH
Name URARISINOSIDE-A;[(7''S,8''R)-(-)-4,4'',9,9',9''-PENTAHYDROXY-3,3',3''-TRIMETHOXY-4',8''-OXY-8,8'-SESQUINEOLIGNAN-7''-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48O15
InChI InChI=1S/C36H48O15/c1-46-27-12-19(4-7-24(27)41)10-22(15-37)23(16-38)11-20-5-9-26(29(13-20)48-3)49-31(18-40)35(21-6-8-25(42)28(14-21)47-2)51-36-34(45)33(44)32(43)30(17-39)50-36/h4-9,12-14,22-23,30-45H,10-11,15-18H2,1-3H3/t22-,23-,30-,31+,32-,33+,34-,35+,36+/m1/s1
InChIKey TYADFVDUXJIKFY-MIVOZQCVSA-N
Literature Reference Author Y.YANG,Z.HU,Z.LUO,Y.XUE,G.YAO,Y.WANG,Y.ZHANG
Literature Reference Citation MOLECULES,19,1178(2014)
Literature Reference DOI 10.3390/molecules19011178
Molecular Weight 720.768 g/mol
Solvent CD3OD
Source File Reference UWBT14241