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3-O-ACETYLCARDIOPININE
SpectraBase Compound ID EyPOTnF9IDH
InChI InChI=1S/C37H43NO10/c1-16(2)33(42)48-27-31(45-19(5)40)35(7)15-38-22-14-36-13-17(3)23-25(47-34(43)21-11-9-8-10-12-21)24(36)30(38)37(28(22)35,32(27)46-20(6)41)29(36)26(23)44-18(4)39/h8-12,16,22-32H,3,13-15H2,1-2,4-7H3/t22-,23-,24?,25+,26+,27-,28?,29?,30?,31+,32+,35-,36-,37+/m0/s1
InChIKey JBGITHAZEYBJGZ-FGRLVGANSA-N
Mol Weight 661.7 g/mol
Molecular Formula C37H43NO10
Exact Mass 661.288697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFv6an1o7eX
Name 3-O-ACETYLCARDIOPININE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H43NO10
InChI InChI=1S/C37H43NO10/c1-16(2)33(42)48-27-31(45-19(5)40)35(7)15-38-22-14-36-13-17(3)23-25(47-34(43)21-11-9-8-10-12-21)24(36)30(38)37(28(22)35,32(27)46-20(6)41)29(36)26(23)44-18(4)39/h8-12,16,22-32H,3,13-15H2,1-2,4-7H3/t22-,23-,24?,25+,26+,27-,28?,29?,30?,31+,32+,35-,36-,37+/m0/s1
InChIKey JBGITHAZEYBJGZ-FGRLVGANSA-N
Literature Reference Author M.REINA,A.MADINAVEITIA,J.A.GAVIN,G.D.L.FUENTE
Literature Reference Citation PHYTOCHEM.,41,1235(1996)
Literature Reference DOI 10.1016/0031-9422(95)00756-3
Molecular Weight 661.749 g/mol
Solvent CDCl3
Source File Reference UWLU4353