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3-BETA-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-HEDERAGENIN_28-O-(BETA-D-GLUCOPYRANOSYL-(1->4)-
SpectraBase Compound ID 9ZIzkEbEuvq
InChI InChI=1S/C53H88O22/c1-24-32(58)34(60)37(63)42(69-24)74-41-45(68-23-53(41,67)22-57)72-31-11-12-48(4)29(49(31,5)21-56)10-13-51(7)30(48)9-8-25-26-18-47(2,3)14-16-52(26,17-15-50(25,51)6)46(66)75-44-39(65)36(62)40(28(20-55)71-44)73-43-38(64)35(61)33(59)27(19-54)70-43/h24-45,54-65,67H,8-23H2,1-7H3
InChIKey MTSFKGJRIJEOFH-UHFFFAOYSA-N
Mol Weight 1077.3 g/mol
Molecular Formula C53H88O22
Exact Mass 1076.576724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1D1QzWdvk2F
Name 3-BETA-O-(ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL)-HEDERAGENIN_28-O-(BETA-D-GLUCOPYRANOSYL-(1->4)-
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H88O22
InChI InChI=1S/C53H88O22/c1-24-32(58)34(60)37(63)42(69-24)74-41-45(68-23-53(41,67)22-57)72-31-11-12-48(4)29(49(31,5)21-56)10-13-51(7)30(48)9-8-25-26-18-47(2,3)14-16-52(26,17-15-50(25,51)6)46(66)75-44-39(65)36(62)40(28(20-55)71-44)73-43-38(64)35(61)33(59)27(19-54)70-43/h24-45,54-65,67H,8-23H2,1-7H3
InChIKey MTSFKGJRIJEOFH-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 1077.269 g/mol
Solvent CD3OD
Source File Reference UWMZ48478