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3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID EvBdnnhcLc2
InChI InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-46-42(67)38(63)34(59)27(74-46)20-69-43-40(65)36(61)32(57)25(18-54)71-43)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(50(4,22-56)29(49)9-12-52(30,51)6)75-44-39(64)35(60)28(21-70-44)73-45-41(66)37(62)33(58)26(19-55)72-45/h7,24-46,54-67H,8-22H2,1-6H3/t24?,25-,26-,27-,28+,29?,30?,31?,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+,49+,50+,51-,52-,53+/m1/s1
InChIKey VBGQXBOWDPEAMH-XUUYOPFUSA-N
Mol Weight 1091.2 g/mol
Molecular Formula C53H86O23
Exact Mass 1090.555989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSHqSgf0Qol
Name 3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN-28-O-[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H86O23
InChI InChI=1S/C53H86O23/c1-48(2)13-15-53(47(68)76-46-42(67)38(63)34(59)27(74-46)20-69-43-40(65)36(61)32(57)25(18-54)71-43)16-14-51(5)23(24(53)17-48)7-8-30-49(3)11-10-31(50(4,22-56)29(49)9-12-52(30,51)6)75-44-39(64)35(60)28(21-70-44)73-45-41(66)37(62)33(58)26(19-55)72-45/h7,24-46,54-67H,8-22H2,1-6H3/t24?,25-,26-,27-,28+,29?,30?,31?,32-,33-,34-,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+,49+,50+,51-,52-,53+/m1/s1
InChIKey VBGQXBOWDPEAMH-XUUYOPFUSA-N
Literature Reference Author V.U.AHMAD,F.V.MOHAMMAD,M.NOORWALA,B.SENER
Literature Reference Citation PLANTA.MED.,59,461(1993)
Literature Reference DOI 10.1055/s-2006-959733
Molecular Weight 1091.252 g/mol
Solvent CD3OD
Source File Reference UIAP495