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2',3',6'-TRI-O-ACETYL-4'-O-TRANS-PARA-(O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL-7-KETOLOGANIN
SpectraBase Compound ID BzHrrqdRO3k
InChI InChI=1S/C38H46O20/c1-16-24(43)12-22-23(35(48)49-5)14-51-36(28(16)22)58-38-34(53-19(4)42)33(52-18(3)41)32(26(56-38)15-50-17(2)40)57-27(44)11-8-20-6-9-21(10-7-20)54-37-31(47)30(46)29(45)25(13-39)55-37/h6-11,14,16,22,25-26,28-34,36-39,45-47H,12-13,15H2,1-5H3/b11-8+/t16-,22+,25-,26-,28+,29-,30+,31-,32-,33+,34-,36-,37-,38+/m0/s1
InChIKey QIMRNCCEKPPOBV-DBUPWLSHSA-N
Mol Weight 822.8 g/mol
Molecular Formula C38H46O20
Exact Mass 822.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MOPqaua1XS
Name 2',3',6'-TRI-O-ACETYL-4'-O-(TRANS)-PARA-(O-BETA-D-GLUCOPYRANOSYL)-COUMAROYL-7-KETOLOGANIN
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O20
InChI InChI=1S/C38H46O20/c1-16-24(43)12-22-23(35(48)49-5)14-51-36(28(16)22)58-38-34(53-19(4)42)33(52-18(3)41)32(26(56-38)15-50-17(2)40)57-27(44)11-8-20-6-9-21(10-7-20)54-37-31(47)30(46)29(45)25(13-39)55-37/h6-11,14,16,22,25-26,28-34,36-39,45-47H,12-13,15H2,1-5H3/b11-8+/t16-,22+,25-,26-,28+,29-,30+,31-,32-,33+,34-,36-,37-,38+/m0/s1
InChIKey QIMRNCCEKPPOBV-DBUPWLSHSA-N
Literature Reference Author B.DINDA,S.DEBNATH,R.BANIK
Literature Reference Citation CHEM.PHARM.BULL.,59,803(2011)
Literature Reference DOI 10.1248/cpb.59.803
Molecular Weight 822.771 g/mol
Source File Reference UWIR3258