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28-O-[XYLOPYRANOSYL-(1->3)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-GYPSOGENIN-ESTER
SpectraBase Compound ID HIrda72LRXf
InChI InChI=1S/C58H92O25/c1-24-34(64)38(68)46(51(76-24)83-52(73)58-17-15-53(3,4)19-27(58)26-9-10-32-54(5)13-12-33(63)55(6,23-60)31(54)11-14-57(32,8)56(26,7)16-18-58)82-49-42(72)45(43(25(2)77-49)79-47-39(69)35(65)28(61)21-74-47)81-50-41(71)44(37(67)30(20-59)78-50)80-48-40(70)36(66)29(62)22-75-48/h9,23-25,27-51,59,61-72H,10-22H2,1-8H3/t24-,25+,27?,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 IEALRXIRWUHBOQ-CDKDZDRNSA-N
Mol Weight 1189.3 g/mol
Molecular Formula C58H92O25
Exact Mass 1188.592768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcYvFVvAORe
Name 28-O-[XYLOPYRANOSYL-(1->3)-GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-FUCOPYRANOSYL]-GYPSOGENIN-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H92O25
InChI InChI=1S/C58H92O25/c1-24-34(64)38(68)46(51(76-24)83-52(73)58-17-15-53(3,4)19-27(58)26-9-10-32-54(5)13-12-33(63)55(6,23-60)31(54)11-14-57(32,8)56(26,7)16-18-58)82-49-42(72)45(43(25(2)77-49)79-47-39(69)35(65)28(61)21-74-47)81-50-41(71)44(37(67)30(20-59)78-50)80-48-40(70)36(66)29(62)22-75-48/h9,23-25,27-51,59,61-72H,10-22H2,1-8H3/t24-,25+,27?,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 IEALRXIRWUHBOQ-CDKDZDRNSA-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 1189.353 g/mol
Solvent C5D5N
Source File Reference UWVN1106