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ISOMER_1
SpectraBase Compound ID 4unujGn0NzZ
InChI InChI=1S/C25H26N2O7/c1-6-17(28)13(2)22(29)25(3,24(32)34-5)12-14-10-11-18(33-4)21-19(14)26-16-9-7-8-15(23(30)31)20(16)27-21/h7-11,13H,6,12H2,1-5H3,(H,30,31)
InChIKey HWZCUZITBNGTFR-UHFFFAOYSA-N
Mol Weight 466.49 g/mol
Molecular Formula C25H26N2O7
Exact Mass 466.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wfjVPQCMg3
Name ISOMER_2
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26N2O7
InChI InChI=1S/C25H26N2O7/c1-6-17(28)13(2)22(29)25(3,24(32)34-5)12-14-10-11-18(33-4)21-19(14)26-16-9-7-8-15(23(30)31)20(16)27-21/h7-11,13H,6,12H2,1-5H3,(H,30,31)
InChIKey HWZCUZITBNGTFR-UHFFFAOYSA-N
Literature Reference Author S.FOTSO,D.A.SANTOSA,R.SARASWATI,J.YANG,T.MAHMUD,T.M.ZABRISKI E,P.J.PROTEAU
Literature Reference Citation J.NAT.PROD.,73,472(2010)
Literature Reference DOI 10.1021/np9005647
Molecular Weight 466.491 g/mol
Sample ID 35125
Solvent CDCl3