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6''-O-TRANS-PARA-COUMAROYLGENIPIN_GENTIOBIOSIDE
SpectraBase Compound ID aK319xpscW
InChI InChI=1S/C32H40O17/c1-43-29(42)18-11-45-30(22-15(10-33)5-8-17(18)22)49-32-28(41)26(39)24(37)20(48-32)13-46-31-27(40)25(38)23(36)19(47-31)12-44-21(35)9-4-14-2-6-16(34)7-3-14/h2-7,9,11,17,19-20,22-28,30-34,36-41H,8,10,12-13H2,1H3/b9-4+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1
InChIKey QIWWLKDHHMGRQL-ZSAPRKFUSA-N
Mol Weight 696.7 g/mol
Molecular Formula C32H40O17
Exact Mass 696.22655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdNI3MZEjni
Name 6''-O-TRANS-PARA-COUMAROYLGENIPIN_GENTIOBIOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40O17
InChI InChI=1S/C32H40O17/c1-43-29(42)18-11-45-30(22-15(10-33)5-8-17(18)22)49-32-28(41)26(39)24(37)20(48-32)13-46-31-27(40)25(38)23(36)19(47-31)12-44-21(35)9-4-14-2-6-16(34)7-3-14/h2-7,9,11,17,19-20,22-28,30-34,36-41H,8,10,12-13H2,1H3/b9-4+/t17-,19+,20+,22-,23+,24+,25-,26-,27+,28+,30+,31+,32-/m1/s1
InChIKey QIWWLKDHHMGRQL-ZSAPRKFUSA-N
Literature Reference Author Y.YU,Z.L.XIE,H.GAO,W.W.MA,Y.DAI,Y.WANG,Y.ZHONG,X.S.YAO
Literature Reference Citation J.NAT.PROD.,72,1459(2009)
Literature Reference DOI 10.1021/np900176q
Molecular Weight 696.659 g/mol
Sample ID 33360
Solvent CD3OD