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28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[QUINOVOPYRANOSYL-(1->2)]-FUCOPYRANOSYL]-GYPSOGENIN-ESTER
SpectraBase Compound ID DGZFW8yolsA
InChI InChI=1S/C58H92O24/c1-24-34(63)36(65)39(68)49(75-24)81-46-41(70)44(79-50-40(69)37(66)43(25(2)76-50)78-48-42(71)45(30(61)22-74-48)80-47-38(67)35(64)29(60)21-73-47)26(3)77-51(46)82-52(72)58-18-16-53(4,5)20-28(58)27-10-11-32-54(6)14-13-33(62)55(7,23-59)31(54)12-15-57(32,9)56(27,8)17-19-58/h10,23-26,28-51,60-71H,11-22H2,1-9H3/t24-,25+,26-,28?,29+,30+,31?,32?,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+,54+,55+,56-,57-,58+/m1/s1
InChIKey VNXPWCJELSBNBY-XAFZEHFYSA-N
Mol Weight 1173.3 g/mol
Molecular Formula C58H92O24
Exact Mass 1172.597854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVT7K1CKTR3
Name 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->4)-[QUINOVOPYRANOSYL-(1->2)]-FUCOPYRANOSYL]-GYPSOGENIN-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H92O24
InChI InChI=1S/C58H92O24/c1-24-34(63)36(65)39(68)49(75-24)81-46-41(70)44(79-50-40(69)37(66)43(25(2)76-50)78-48-42(71)45(30(61)22-74-48)80-47-38(67)35(64)29(60)21-73-47)26(3)77-51(46)82-52(72)58-18-16-53(4,5)20-28(58)27-10-11-32-54(6)14-13-33(62)55(7,23-59)31(54)12-15-57(32,9)56(27,8)17-19-58/h10,23-26,28-51,60-71H,11-22H2,1-9H3/t24-,25+,26-,28?,29+,30+,31?,32?,33+,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+,54+,55+,56-,57-,58+/m1/s1
InChIKey VNXPWCJELSBNBY-XAFZEHFYSA-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 1173.354 g/mol
Solvent C5D5N
Source File Reference UWVN1336