John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1NRiWpd5pQe SpectraBase Spectrum ID=11c2mm8cTFO

(accessed ).
17-ALPHA-DIGITOXIGENIN-BETA-CELLOBIOSYL-(1->4)-ALPHA-L-THEVETOSIDE
SpectraBase Compound ID 1NRiWpd5pQe
InChI InChI=1S/C42H66O18/c1-18-34(59-38-32(50)30(48)35(26(16-44)58-38)60-37-31(49)29(47)28(46)25(15-43)57-37)36(53-4)33(51)39(55-18)56-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(45)54-17-19/h13,18,20-26,28-39,43-44,46-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22-,23-,24+,25+,26-,28+,29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-/m0/s1
InChIKey OWXNLPWXQUXDMB-GBMFQGBSSA-N
Mol Weight 859.0 g/mol
Molecular Formula C42H66O18
Exact Mass 858.424916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11c2mm8cTFO
Name 17-ALPHA-DIGITOXIGENIN-BETA-CELLOBIOSYL-(1->4)-ALPHA-L-THEVETOSIDE
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O18
InChI InChI=1S/C42H66O18/c1-18-34(59-38-32(50)30(48)35(26(16-44)58-38)60-37-31(49)29(47)28(46)25(15-43)57-37)36(53-4)33(51)39(55-18)56-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(45)54-17-19/h13,18,20-26,28-39,43-44,46-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22-,23-,24+,25+,26-,28+,29-,30-,31+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-/m0/s1
InChIKey OWXNLPWXQUXDMB-GBMFQGBSSA-N
Literature Reference Author T.YAMAUCHI,F.ABE,A.S.C.WAN
Literature Reference Citation CHEM.PHARM.BULL.,35,4993(1987)
Literature Reference DOI 10.1248/cpb.35.4993
Molecular Weight 858.975 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1027
SpectraBase Batch ID 82zaKkJr134