John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KjWo5mGEzPJ SpectraBase Spectrum ID=2aYKNcQM1Dp

(accessed ).
7-O-BUTYLSECOLOGANIC-ACID
SpectraBase Compound ID KjWo5mGEzPJ
InChI InChI=1S/C20H30O10/c1-3-5-6-26-14-7-11-10(4-2)19(27-9-12(11)18(25)29-14)30-20-17(24)16(23)15(22)13(8-21)28-20/h4,9-11,13-17,19-24H,2-3,5-8H2,1H3/t10-,11+,13+,14?,15+,16-,17+,19+,20-/m1/s1
InChIKey DEMOTKDPXQJWDS-CKACCWHFSA-N
Mol Weight 430.45 g/mol
Molecular Formula C20H30O10
Exact Mass 430.183898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aYKNcQM1Dp
Name 7-O-BUTYLSECOLOGANIC-ACID
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O10
InChI InChI=1S/C20H30O10/c1-3-5-6-26-14-7-11-10(4-2)19(27-9-12(11)18(25)29-14)30-20-17(24)16(23)15(22)13(8-21)28-20/h4,9-11,13-17,19-24H,2-3,5-8H2,1H3/t10-,11+,13+,14?,15+,16-,17+,19+,20-/m1/s1
InChIKey DEMOTKDPXQJWDS-CKACCWHFSA-N
Literature Reference Author L.TOMASSINI,M.F.COMETA,M.SERAFINI,M.NICOLETTI
Literature Reference Citation J.NAT.PROD.,58,1756(1995)
Literature Reference DOI 10.1021/np50125a020
Molecular Weight 430.452 g/mol
Solvent CD3OD
Source File Reference UWCS22708
SpectraBase Batch ID AZXfCPEtsD4