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PANICULOSIDE-3
SpectraBase Compound ID 2eyqAxSp29C
InChI InChI=1S/C26H38O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14+,15+,16?,17+,18-,19+,20?,22-,24-,25-,26-/m1/s1
InChIKey JSKLOHJUYDOADP-IWZUMWMLSA-N
Mol Weight 494.6 g/mol
Molecular Formula C26H38O9
Exact Mass 494.251583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22ysz26APGg
Name PANICULOSIDE-3
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38O9
InChI InChI=1S/C26H38O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14+,15+,16?,17+,18-,19+,20?,22-,24-,25-,26-/m1/s1
InChIKey JSKLOHJUYDOADP-IWZUMWMLSA-N
Literature Reference Author K.YAMASAKI,H.KOHDA,T.KOBAYASHI,R.KASAI,O.TANAKA
Literature Reference Citation TETRAH.LETT.,17,1005(1976)
Literature Reference DOI 10.1016/S0040-4039(00)77990-1
Molecular Weight 494.582 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS10271