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3-BETA-O-(BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-HEDERAGENIN_28-O-(BETA-D-GLUCOPYRANOSYL
SpectraBase Compound ID 9VDz2AdPaiI
InChI InChI=1S/C59H98O27/c1-25-34(65)45(84-48-41(72)38(69)36(67)29(20-61)80-48)43(74)50(78-25)85-46-51(77-24-59(46,76)23-64)82-33-11-12-54(4)31(55(33,5)22-63)10-13-57(7)32(54)9-8-26-27-18-53(2,3)14-16-58(27,17-15-56(26,57)6)52(75)86-49-42(73)39(70)44(30(21-62)81-49)83-47-40(71)37(68)35(66)28(19-60)79-47/h25-51,60-74,76H,8-24H2,1-7H3
InChIKey CMKWMNYSEZWCLP-UHFFFAOYSA-N
Mol Weight 1239.4 g/mol
Molecular Formula C59H98O27
Exact Mass 1238.629548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QvCCB2uDai
Name 3-BETA-O-(BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-HEDERAGENIN_28-O-(BETA-D-GLUCOPYRANOSYL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H98O27
InChI InChI=1S/C59H98O27/c1-25-34(65)45(84-48-41(72)38(69)36(67)29(20-61)80-48)43(74)50(78-25)85-46-51(77-24-59(46,76)23-64)82-33-11-12-54(4)31(55(33,5)22-63)10-13-57(7)32(54)9-8-26-27-18-53(2,3)14-16-58(27,17-15-56(26,57)6)52(75)86-49-42(73)39(70)44(30(21-62)81-49)83-47-40(71)37(68)35(66)28(19-60)79-47/h25-51,60-74,76H,8-24H2,1-7H3
InChIKey CMKWMNYSEZWCLP-UHFFFAOYSA-N
Literature Reference Author A.BRACA,G.AUTORE,F.DESIMONE,S.MARZOCCO,I.MORELLI,F.VENTURELL A,N.DETOMMASI
Literature Reference Citation PLANTA.MED.,70,960(2004)
Literature Reference DOI 10.1055/s-2004-832623
Molecular Weight 1239.411 g/mol
Solvent CD3OD
Source File Reference UWMZ48476