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5,6-DEHYDROCALOTROPIN
SpectraBase Compound ID lpS9fl47KE
InChI InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h3,10,14-15,18-23,25,31,33-34H,4-9,11-13H2,1-2H3/t15-,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
InChIKey CKBPSMDNPQRZIK-MCNYKCMOSA-N
Mol Weight 530.6 g/mol
Molecular Formula C29H38O9
Exact Mass 530.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kr1dJK5WGNs
Name 5,6-DEHYDRO-CALOTROPIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O9
InChI InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h3,10,14-15,18-23,25,31,33-34H,4-9,11-13H2,1-2H3/t15-,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1
InChIKey CKBPSMDNPQRZIK-MCNYKCMOSA-N
Literature Reference Author H.EL-ASKARY,J.HOELZL,S.HILAL,E.EL-KASHOURY
Literature Reference Citation PHYTOCHEM.,34,1399(1993)
Literature Reference DOI 10.1016/0031-9422(91)80037-2
Molecular Weight 530.615 g/mol
Solvent CDCl3:CD3OD=4:1
Source File Reference UWLU20678