John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7UwmaM5gi78 SpectraBase Spectrum ID=1jjD55WMtUY

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SCROPHULOSIDE-A8
SpectraBase Compound ID 7UwmaM5gi78
InChI InChI=1S/C35H44O19/c1-14-27(51-22(41)8-6-17-5-7-20(45-4)19(40)11-17)29(48-15(2)38)30(49-16(3)39)34(47-14)52-28-18-9-10-46-32(23(18)35(13-37)31(28)54-35)53-33-26(44)25(43)24(42)21(12-36)50-33/h5-11,14,18,21,23-34,36-37,40,42-44H,12-13H2,1-4H3/b8-6+/t14-,18-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1
InChIKey FYTGEKJFCXSGKK-YDEKDSOGSA-N
Mol Weight 768.7 g/mol
Molecular Formula C35H44O19
Exact Mass 768.24768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jjD55WMtUY
Name SCROPHULOSIDE-A(8)
Compound Number 67
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O19
InChI InChI=1S/C35H44O19/c1-14-27(51-22(41)8-6-17-5-7-20(45-4)19(40)11-17)29(48-15(2)38)30(49-16(3)39)34(47-14)52-28-18-9-10-46-32(23(18)35(13-37)31(28)54-35)53-33-26(44)25(43)24(42)21(12-36)50-33/h5-11,14,18,21,23-34,36-37,40,42-44H,12-13H2,1-4H3/b8-6+/t14-,18-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1
InChIKey FYTGEKJFCXSGKK-YDEKDSOGSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 768.723 g/mol
Sample ID 37864
Solvent CD3OD
SpectraBase Batch ID CC7KzzQUiIk