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3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-27-HYDROXY-URSOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 1povSbhFg6U
InChI InChI=1S/C52H84O22/c1-22-9-14-51(47(66)74-45-40(65)37(62)35(60)28(18-54)70-45)15-16-52(21-55)24(32(51)23(22)2)7-8-30-49(5)12-11-31(48(3,4)29(49)10-13-50(30,52)6)71-46-42(73-43-38(63)33(58)25(56)19-67-43)41(26(57)20-68-46)72-44-39(64)36(61)34(59)27(17-53)69-44/h7,22-23,25-46,53-65H,8-21H2,1-6H3/t22-,23+,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+/m1/s1
InChIKey LNOQLYUDYJKSCK-YVHAGOFASA-N
Mol Weight 1061.2 g/mol
Molecular Formula C52H84O22
Exact Mass 1060.545424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G60hbMvOOsw
Name 3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-27-HYDROXY-URSOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84O22
InChI InChI=1S/C52H84O22/c1-22-9-14-51(47(66)74-45-40(65)37(62)35(60)28(18-54)70-45)15-16-52(21-55)24(32(51)23(22)2)7-8-30-49(5)12-11-31(48(3,4)29(49)10-13-50(30,52)6)71-46-42(73-43-38(63)33(58)25(56)19-67-43)41(26(57)20-68-46)72-44-39(64)36(61)34(59)27(17-53)69-44/h7,22-23,25-46,53-65H,8-21H2,1-6H3/t22-,23+,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+/m1/s1
InChIKey LNOQLYUDYJKSCK-YVHAGOFASA-N
Literature Reference Author T.MIYASE,F.R.MELEK,O.D.EL-GINDI,S.M.ABDEL-KHALIK,M.R.EL-GIND I,M.Y.HAGGAG,S.H.HIL
Literature Reference Citation PHYTOCHEM.,41,1175(1996)
Literature Reference DOI 10.1016/0031-9422(95)00725-3
Molecular Weight 1061.226 g/mol
Solvent C5D5N
Source File Reference UWLU4307