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SCROPHULOSIDE-A6
SpectraBase Compound ID CTQrGXg3vhp
InChI InChI=1S/C35H44O18/c1-15-27(47-16(2)38)29(50-22(40)10-7-18-5-8-19(44-4)9-6-18)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3/b10-7-/t15-,20-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1
InChIKey RRBUKTFTHGQFCF-ZALVZMKRSA-N
Mol Weight 752.7 g/mol
Molecular Formula C35H44O18
Exact Mass 752.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vMfwTX40PZ
Name SCROPHULOSIDE-A(6)
Compound Number 65
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O18
InChI InChI=1S/C35H44O18/c1-15-27(47-16(2)38)29(50-22(40)10-7-18-5-8-19(44-4)9-6-18)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3/b10-7-/t15-,20-,21+,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-/m1/s1
InChIKey RRBUKTFTHGQFCF-ZALVZMKRSA-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 752.724 g/mol
Sample ID 37862
Solvent CD3OD