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FP3;BIS-(1,2,3-PROPANETRICARBOXYLIC-ACID)-1,1'-[1-(12-(3-HYDROXY-1-PYRIDINYL)-4,11-DIHYDROXY-2-METHYLTRIDECYL)-2-(1-METHYLPENTYL)-1,2-ETHANDIYL
SpectraBase Compound ID Az9ZTWaWukT
InChI InChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1
InChIKey SJFPAYWMTYRRGT-UHFFFAOYSA-O
Mol Weight 784.9 g/mol
Molecular Formula C39H62NO15
Exact Mass 784.411945 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21mLTxvljuO
Name FP3;BIS-(1,2,3-PROPANETRICARBOXYLIC-ACID)-1,1'-[1-(12-(3-HYDROXY-1-PYRIDINYL)-4,11-DIHYDROXY-2-METHYLTRIDECYL)-2-(1-METHYLPENTYL)-1,2-ETHANDIYL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H62NO15
InChI InChI=1S/C39H61NO15/c1-5-6-12-25(3)37(55-36(49)22-28(39(52)53)20-34(46)47)32(54-35(48)21-27(38(50)51)19-33(44)45)18-24(2)17-29(41)13-9-7-8-10-15-31(43)26(4)40-16-11-14-30(42)23-40/h11,14,16,23-29,31-32,37,41,43H,5-10,12-13,15,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1
InChIKey SJFPAYWMTYRRGT-UHFFFAOYSA-O
Literature Reference Author S.M.MUSSER,M.L.GAY,E.P.MAZZOLA,R.D.PLATTNER
Literature Reference Citation J.NAT.PROD.,59,970(1996)
Literature Reference DOI 10.1021/np960349t
Molecular Weight 784.919 g/mol
Solvent CD3OD
Source File Reference UWVP754