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28-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-3-O-BETA-D-GALACTOPYRANOSYL-(1->4)-6'-O-METHYL-BETA-D-GLUCURONOPYRANOSIDE
SpectraBase Compound ID HZSQ7KwqnzP
InChI InChI=1S/C49H78O21/c1-44(2)12-14-49(43(63)70-41-34(60)31(57)29(55)25(19-51)66-41)15-13-47(5)21(22(49)16-44)8-9-27-45(3)17-23(53)38(46(4,20-52)26(45)10-11-48(27,47)6)69-42-35(61)32(58)36(37(68-42)39(62)64-7)67-40-33(59)30(56)28(54)24(18-50)65-40/h8,22-38,40-42,50-61H,9-20H2,1-7H3/t22?,23-,24-,25+,26?,27?,28+,29+,30+,31-,32+,33-,34+,35+,36-,37-,38-,40+,41-,42-,45-,46-,47+,48+,49-/m0/s1
InChIKey MPNRJIRWXQFDSC-NHPWVXPXSA-N
Mol Weight 1003.1 g/mol
Molecular Formula C49H78O21
Exact Mass 1002.50356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETaqtCiCCRa
Name 3-O-BETA-[GALACTOPYRANOSYL-(1->4)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-BAYOGENIN-28-O-GLUCOPYRANOSYLESTER
Compound Number 116
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H78O21
InChI InChI=1S/C49H78O21/c1-44(2)12-14-49(43(63)70-41-34(60)31(57)29(55)25(19-51)66-41)15-13-47(5)21(22(49)16-44)8-9-27-45(3)17-23(53)38(46(4,20-52)26(45)10-11-48(27,47)6)69-42-35(61)32(58)36(37(68-42)39(62)64-7)67-40-33(59)30(56)28(54)24(18-50)65-40/h8,22-38,40-42,50-61H,9-20H2,1-7H3/t22?,23-,24-,25+,26?,27?,28+,29+,30+,31-,32+,33-,34+,35+,36-,37-,38-,40+,41-,42-,45-,46-,47+,48+,49-/m0/s1
InChIKey MPNRJIRWXQFDSC-NHPWVXPXSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 1003.146 g/mol
Solvent C5D5N
Source File Reference UWVN1004