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(20-S)-18,20-EPOXY-DIGITOXIGENIN_ALPHA-L-THEVETOSIDE
SpectraBase Compound ID grbSHrWNav
InChI InChI=1S/C30H46O9/c1-16-23(32)25(35-3)24(33)26(38-16)39-18-6-9-27(2)17(12-18)4-5-20-19(27)7-10-28-14-37-29(13-22(31)36-15-29)21(28)8-11-30(20,28)34/h16-21,23-26,32-34H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1
InChIKey SAHFSRBBUCJJGW-PQYUPMBDSA-N
Mol Weight 550.7 g/mol
Molecular Formula C30H46O9
Exact Mass 550.314183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTTIGNexg31
Name (20-S)-18,20-EPOXY-DIGITOXIGENIN_ALPHA-L-THEVETOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O9
InChI InChI=1S/C30H46O9/c1-16-23(32)25(35-3)24(33)26(38-16)39-18-6-9-27(2)17(12-18)4-5-20-19(27)7-10-28-14-37-29(13-22(31)36-15-29)21(28)8-11-30(20,28)34/h16-21,23-26,32-34H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21-,23-,24-,25+,26-,27-,28-,29+,30-/m0/s1
InChIKey SAHFSRBBUCJJGW-PQYUPMBDSA-N
Literature Reference Author F.ABE,T.YAMAUCHI,A.S.C.WAN
Literature Reference Citation PHYTOCHEM.,31,3189(1992)
Literature Reference DOI 10.1016/0031-9422(92)83472-B
Molecular Weight 550.690 g/mol
Solvent C5D5N
Source File Reference UWMZ21519