John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=SdjwQDZHxt SpectraBase Spectrum ID=1JKxN0fczPo

(accessed ).
TARASAPONIN-VII-METHYLESTER;BETA-D-GLUCOPYRANOSYL-OLEANOLATE-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANO
SpectraBase Compound ID SdjwQDZHxt
InChI InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey MLIQJRVPWRKGIO-BPJZXJLTSA-N
Mol Weight 1045.2 g/mol
Molecular Formula C52H84O21
Exact Mass 1044.550511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JKxN0fczPo
Name 3-O-BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H84O21
InChI InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey MLIQJRVPWRKGIO-BPJZXJLTSA-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 1045.226 g/mol
Solvent C5D5N
Source File Reference UWLU4301
SpectraBase Batch ID Kw96Sgxk1Mo