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SCROPHULOSIDE-A7
SpectraBase Compound ID 4wZgAuHnyMq
InChI InChI=1S/C35H44O18/c1-15-27(50-22(40)10-7-18-5-8-19(44-4)9-6-18)29(47-16(2)38)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 BARAUATXLYPTGX-GEIOAOOOSA-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 9TI2gtQwRqD
Name SCROPHULOSIDE-A7
Compound Number 16
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(50-22(40)10-7-18-5-8-19(44-4)9-6-18)29(47-16(2)38)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 BARAUATXLYPTGX-GEIOAOOOSA-N
Literature Reference Author T.MIYASE,A.MIMATSU
Literature Reference Citation J.NAT.PROD.,62,1079(1999)
Literature Reference DOI 10.1021/np9805746
Molecular Weight 752.724 g/mol
Solvent CD3OD
Source File Reference UWCP8758