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PHELLODONIN

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PHELLODONIN
SpectraBase Compound ID EzWUPGALFi4
InChI InChI=1S/C39H42N2O15/c1-10-19(3)32-37(47)41(49)39(20(4)11-2,38(48)40(32)50-9)55-29-18-26(14-17-28(29)56-41)31-35(53-23(7)44)33(51-21(5)42)30(25-12-15-27(46)16-13-25)34(52-22(6)43)36(31)54-24(8)45/h12-20,46-47H,10-11H2,1-9H3/t19-,20-,39+,41-/m0/s1
InChIKey HTWYTTYCIDLWSF-RKFXEXHDSA-N
Mol Weight 778.8 g/mol
Molecular Formula C39H42N2O15
Exact Mass 778.258519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiUWoC54VWL
Name PHELLODONIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H42N2O15
InChI InChI=1S/C39H42N2O15/c1-10-19(3)32-37(47)41(49)39(20(4)11-2,38(48)40(32)50-9)55-29-18-26(14-17-28(29)56-41)31-35(53-23(7)44)33(51-21(5)42)30(25-12-15-27(46)16-13-25)34(52-22(6)43)36(31)54-24(8)45/h12-20,46-47H,10-11H2,1-9H3/t19-,20-,39+,41-/m0/s1
InChIKey HTWYTTYCIDLWSF-RKFXEXHDSA-N
Literature Reference Author S.T.FANG,L.ZHANG,Z.H.LI,B.LI,J.K.LIU
Literature Reference Citation CHEM.PHARM.BULL.,58,1176(2010)
Literature Reference DOI 10.1248/cpb.58.1176
Molecular Weight 778.767 g/mol
Source File Reference UWBT3768