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SCROPHULOSIDE-B1
SpectraBase Compound ID LEccrhG7VE3
InChI InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-3-6-18(36)20(38)11-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-4-7-19(37)22(12-16)47-2/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23-,25-,26+,27+,28-,29+,30-,31-,32-,33?,34-,35-/m0/s1
InChIKey RNIOTCRMLGGHMI-PHUPJTDTSA-N
Mol Weight 770.7 g/mol
Molecular Formula C35H46O19
Exact Mass 770.263329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vR9YOihk2u
Name SCROPHULOSIDE-B1
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46O19
InChI InChI=1S/C35H46O19/c1-15-25(41)27(43)29(45)35(51-15)54-32-30(46)34(48-10-9-17-3-6-18(36)20(38)11-17)52-23(14-50-33-28(44)26(42)21(39)13-49-33)31(32)53-24(40)8-5-16-4-7-19(37)22(12-16)47-2/h3-8,11-12,15,21,23,25-39,41-46H,9-10,13-14H2,1-2H3/b8-5+/t15-,21+,23-,25-,26+,27+,28-,29+,30-,31-,32-,33?,34-,35-/m0/s1
InChIKey RNIOTCRMLGGHMI-PHUPJTDTSA-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 770.739 g/mol
Solvent CD3OD
Source File Reference UWCP8760