John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=pbSeT5rioE SpectraBase Spectrum ID=109Rz0n20Ni

(accessed ).
3-BETA,21-ALPHA,22-BETA,24-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GALACTOPPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-21-O-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID pbSeT5rioE
InChI InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)67-38-37(59)44(4)15-16-47(7)21(22(44)17-43(38,2)3)9-10-25-45(5)13-12-26(46(6,19-50)24(45)11-14-48(25,47)8)64-42-36(32(56)31(55)35(65-42)39(60)61)66-41-34(58)30(54)28(52)23(18-49)63-41/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey AYVAZBJAERRTDF-VYNYWMMWSA-N
Mol Weight 959.1 g/mol
Molecular Formula C48H78O19
Exact Mass 958.513731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 109Rz0n20Ni
Name 3-BETA,21-ALPHA,22-BETA,24-TETRAHYDROXY-OLEAN-12-EN-3-O-BETA-D-GALACTOPPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-21-O-ALPHA-L-RHAMNOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O19
InChI InChI=1S/C48H78O19/c1-20-27(51)29(53)33(57)40(62-20)67-38-37(59)44(4)15-16-47(7)21(22(44)17-43(38,2)3)9-10-25-45(5)13-12-26(46(6,19-50)24(45)11-14-48(25,47)8)64-42-36(32(56)31(55)35(65-42)39(60)61)66-41-34(58)30(54)28(52)23(18-49)63-41/h9,20,22-38,40-42,49-59H,10-19H2,1-8H3,(H,60,61)/t20-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey AYVAZBJAERRTDF-VYNYWMMWSA-N
Literature Reference Author G.M.WOLDEMICHAEL,G.MONTENEGRO,B.N.TIMMERMANN
Literature Reference Citation PHYTOCHEM.,63,853(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00328-5
Molecular Weight 959.136 g/mol
Solvent CDCl3
Source File Reference UWMS28395
SpectraBase Batch ID 81hfQvHHuY6