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DIGITOXIGENIN-3-BETA-O-ALPHA-L-RHAMNOSID,(5-BETA-H)
SpectraBase Compound ID IEIHxTCiBIn
InChI InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26+,27-,28+,29-/m0/s1
InChIKey WQMLFJWIKARBFW-DACIJENLSA-N
Mol Weight 520.7 g/mol
Molecular Formula C29H44O8
Exact Mass 520.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DW1U3cno5OQ
Name (3-BETA,5-BETA,14-BETA,17-BETA)-3-[(ALPHA-L-RHAMNOPYRANOSYL)-OXY]-14-HYDROXYCARD-20(22)-ENOLIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O8
InChI InChI=1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-26,31-34H,4-11,13-14H2,1-3H3/t15-,17+,18-,19+,20-,21+,23-,24+,25+,26+,27-,28+,29-/m0/s1
InChIKey WQMLFJWIKARBFW-DACIJENLSA-N
Literature Reference Author H.RATHORE,A.H.L.FROM,K.AHMED,D.S.FULLERTON
Literature Reference Citation J.MED.CHEM.,29,1945(1986)
Literature Reference DOI 10.1021/jm00160a025
Molecular Weight 520.664 g/mol
Solvent CDCl3
Source File Reference UWBK361