John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2rVcgHBeAbW SpectraBase Spectrum ID=29tWcbK0AAW

(accessed ).
KINGIANOSIDE
SpectraBase Compound ID 2rVcgHBeAbW
InChI InChI=1S/C45H72O20/c1-18(17-59-40-36(55)33(52)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-41-38(57)35(54)39(28(16-48)63-41)64-42-37(56)34(53)32(51)27(15-47)62-42/h5,18-19,21-28,30-42,46-48,50-58H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27+,28-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43+,44-,45?/m1/s1
InChIKey KQBLCRWJBXIFBJ-VYJOCNKKSA-N
Mol Weight 933.1 g/mol
Molecular Formula C45H72O20
Exact Mass 932.461695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29tWcbK0AAW
Name #3;KINGIANOSIDE-D;(25-R)-[(3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-26-[(BETA-D-GLUCOPYRANOSYL)-OXY]-22-XI-HYDROXYFUROST-5-EN-12-ONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O20
InChI InChI=1S/C45H72O20/c1-18(17-59-40-36(55)33(52)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-41-38(57)35(54)39(28(16-48)63-41)64-42-37(56)34(53)32(51)27(15-47)62-42/h5,18-19,21-28,30-42,46-48,50-58H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26+,27+,28-,30+,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43+,44-,45?/m1/s1
InChIKey KQBLCRWJBXIFBJ-VYJOCNKKSA-N
Literature Reference Author J.ZHANG,B.P.MA,L.P.KANG,H.S.YU,Y.YANG,X.Z.YAN,F.T.DONG
Literature Reference Citation CHEM.PHARM.BULL.,54,931(2006)
Literature Reference DOI 10.1248/cpb.54.931
Molecular Weight 933.055 g/mol
Sample ID 37166
Solvent C5D5N
SpectraBase Batch ID JfxsnTVSRlC