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PEDALIN

View entire compound with spectra: 1 NMR

PEDALIN
SpectraBase Compound ID I87Tbrpnb6E
InChI InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m0/s1
InChIKey WLDSVYQTJXGHOT-SNRPTINQSA-N
Mol Weight 478.41 g/mol
Molecular Formula C22H22O12
Exact Mass 478.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oiVMgaKn0f
Name PEDALIN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O12
InChI InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m0/s1
InChIKey WLDSVYQTJXGHOT-SNRPTINQSA-N
Literature Reference Author V.D.S.BOLZANI,A.A.L.GUNATILAKA,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,58,1683(1995)
Literature Reference DOI 10.1021/np50125a006
Molecular Weight 478.409 g/mol
Solvent DMSO-D6
Source File Reference UWCS22848