John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3UUPC934C77 SpectraBase Spectrum ID=9yQtpbmN0q1

(accessed ).
3-O-BETA-[ARABINOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
SpectraBase Compound ID 3UUPC934C77
InChI InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-32(29(46)28(45)31(54-35)33(48)51-8)55-34-30(47)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)/t22?,23-,24?,25?,26-,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey FUUKVKKUBFPWND-KYQJQNHOSA-N
Mol Weight 779.0 g/mol
Molecular Formula C42H66O13
Exact Mass 778.450343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yQtpbmN0q1
Name 3-O-BETA-[ARABINOPYRANOSYL-(1->2)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O13
InChI InChI=1S/C42H66O13/c1-37(2)15-17-42(36(49)50)18-16-40(6)21(22(42)19-37)9-10-25-39(5)13-12-26(38(3,4)24(39)11-14-41(25,40)7)53-35-32(29(46)28(45)31(54-35)33(48)51-8)55-34-30(47)27(44)23(43)20-52-34/h9,22-32,34-35,43-47H,10-20H2,1-8H3,(H,49,50)/t22?,23-,24?,25?,26-,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey FUUKVKKUBFPWND-KYQJQNHOSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 778.978 g/mol
Solvent C5D5N
Source File Reference UWVN1172
SpectraBase Batch ID Iyxt85phFEo