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DIGITOXIGENIN-3-BETA-O-ALPHA-L-PERACETYLRHAMNOSID,(5-BETA-H)
SpectraBase Compound ID LAJJuyrjOeW
InChI InChI=1S/C35H50O11/c1-18-29(43-19(2)36)30(44-20(3)37)31(45-21(4)38)32(42-18)46-24-9-12-33(5)23(16-24)7-8-27-26(33)10-13-34(6)25(11-14-35(27,34)40)22-15-28(39)41-17-22/h15,18,23-27,29-32,40H,7-14,16-17H2,1-6H3/t18-,23+,24-,25+,26-,27+,29-,30+,31+,32+,33-,34+,35-/m0/s1
InChIKey LICOIYMZLZTUHN-RRNXZSBUSA-N
Mol Weight 646.8 g/mol
Molecular Formula C35H50O11
Exact Mass 646.335312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JChxN43NrlJ
Name DIGITOXIGENIN-3-BETA-O-ALPHA-L-PERACETYLRHAMNOSID,(5-BETA-H)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H50O11
InChI InChI=1S/C35H50O11/c1-18-29(43-19(2)36)30(44-20(3)37)31(45-21(4)38)32(42-18)46-24-9-12-33(5)23(16-24)7-8-27-26(33)10-13-34(6)25(11-14-35(27,34)40)22-15-28(39)41-17-22/h15,18,23-27,29-32,40H,7-14,16-17H2,1-6H3/t18-,23+,24-,25+,26-,27+,29-,30+,31+,32+,33-,34+,35-/m0/s1
InChIKey LICOIYMZLZTUHN-RRNXZSBUSA-N
Literature Reference Author H.T.A.CHEUNG,L.BROWN,J.BOUTAGY,R.THOMAS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1773(1981)
Literature Reference DOI 10.1039/p19810001773
Molecular Weight 646.775 g/mol
Solvent CDCl3
Source File Reference UNIW8511