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CARDENOLIDE_N-3;3-BETA-O-(BETA-D-DIGINOSYL)-8,14,16-ALPHA,17-DIEPOXY-5-BETA,14-BETA-CARD-20-(22)-ENOLIDE
SpectraBase Compound ID 8SwtLbZtEeD
InChI InChI=1S/C30H42O8/c1-16-25(32)20(33-4)13-24(35-16)36-19-6-8-26(2)17(11-19)5-10-28-21(26)7-9-27(3)29(28,38-28)14-22-30(27,37-22)18-12-23(31)34-15-18/h12,16-17,19-22,24-25,32H,5-11,13-15H2,1-4H3/t16-,17-,19+,20-,21-,22-,24+,25+,26+,27+,28+,29-,30-/m1/s1
InChIKey SEHQMXOXGIZASS-KMNGBJDXSA-N
Mol Weight 530.7 g/mol
Molecular Formula C30H42O8
Exact Mass 530.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJlefpG9kg2
Name CARDENOLIDE_N-3;3-BETA-O-(BETA-D-DIGINOSYL)-8,14,16-ALPHA,17-DIEPOXY-5-BETA,14-BETA-CARD-20-(22)-ENOLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O8
InChI InChI=1S/C30H42O8/c1-16-25(32)20(33-4)13-24(35-16)36-19-6-8-26(2)17(11-19)5-10-28-21(26)7-9-27(3)29(28,38-28)14-22-30(27,37-22)18-12-23(31)34-15-18/h12,16-17,19-22,24-25,32H,5-11,13-15H2,1-4H3/t16-,17-,19+,20-,21-,22-,24+,25+,26+,27+,28+,29-,30-/m1/s1
InChIKey SEHQMXOXGIZASS-KMNGBJDXSA-N
Literature Reference Author M.ZHAO,L.BAI,L.WANG,A.TOKI,T.HASEGAWA,M.KIKUCHI,M.ABE,J.I.SA KAI,R.HASEGAWA,Y.BAI
Literature Reference Citation J.NAT.PROD.,70,1098(2007)
Literature Reference DOI 10.1021/np068066g
Molecular Weight 530.659 g/mol
Sample ID 30575
Solvent CDCl3