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CARDENOLIDE_N-4;3-BETA-O-(BETA-D-DIGINOSYL)-16-BETA-ACETOXY-14-HYDROXY-5-ALPHA,14-BETA-CARD-20-(22)-ENOLIDE
SpectraBase Compound ID DZB9PVCTIr2
InChI InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21+,22+,23-,24-,25+,27+,28+,29+,30+,31-,32+/m1/s1
InChIKey JLPDBLFIVFSOCC-MSNQMZSTSA-N
Mol Weight 576.7 g/mol
Molecular Formula C32H48O9
Exact Mass 576.329833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xV1bymIUIk
Name CARDENOLIDE_N-4;3-BETA-O-(BETA-D-DIGINOSYL)-16-BETA-ACETOXY-14-HYDROXY-5-ALPHA,14-BETA-CARD-20-(22)-ENOLIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H48O9
InChI InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21+,22+,23-,24-,25+,27+,28+,29+,30+,31-,32+/m1/s1
InChIKey JLPDBLFIVFSOCC-MSNQMZSTSA-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 576.728 g/mol
Sample ID 30573
Solvent CDCl3