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DIGITOXIGENIN-3-BETA-O-BETA-D-GALAKTOSID,(5-BETA-H)
SpectraBase Compound ID 3U01vBC7eWh
InChI InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29+/m1/s1
InChIKey CMHWMOGWFZWDMR-QUFIFQSOSA-N
Mol Weight 536.7 g/mol
Molecular Formula C29H44O9
Exact Mass 536.298533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Z5N6w1LXUe
Name DIGITOXIGENIN-3-O-BETA-GALACTOSID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O9
InChI InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23+,24+,25-,26-,27+,28-,29+/m1/s1
InChIKey CMHWMOGWFZWDMR-QUFIFQSOSA-N
Literature Reference Author Y.OOI,T.HASHIMOTO,N.MITSUO,T.SATOH
Literature Reference Citation CHEM.PHARM.BULL.,33,1808(1985)
Literature Reference DOI 10.1248/cpb.33.1808
Molecular Weight 536.663 g/mol
Solvent PYRIDINE-D5
Source File Reference UNIW16701