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SOMALIN;DIGITOXIGENIN-3-O-BETA-D-CYMAROPYRANOSIDE
SpectraBase Compound ID Lbh4Z0AWcfB
InChI InChI=1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22?,23?,24+,26+,27-,28+,29-,30+/m1/s1
InChIKey YBZZSZQZDODUAA-HMEQWORXSA-N
Mol Weight 518.7 g/mol
Molecular Formula C30H46O7
Exact Mass 518.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3PMul7w4NV
Name SOMALIN;DIGITOXIGENIN-3-O-BETA-D-CYMAROPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O7
InChI InChI=1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22?,23?,24+,26+,27-,28+,29-,30+/m1/s1
InChIKey YBZZSZQZDODUAA-HMEQWORXSA-N
Literature Reference Author G.M.CABRERA,M.E.DELUCA,A.M.SELDES,E.G.GROS,J.C.OBERTI,J.CROC KETT,M.L.GROSS
Literature Reference Citation PHYTOCHEM.,32,1253(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95101-X
Molecular Weight 518.691 g/mol
Solvent CDCl3
Source File Reference UWLU6419