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PACIFIDINE
SpectraBase Compound ID JYgllpzD66j
InChI InChI=1S/C30H40N2O8/c1-36-19-12-28(34)21-17(11-16(19)22(21)38-3)29-20(37-2)9-10-27(14-40-25(33)15-7-5-6-8-18(15)31)13-32-26(29)30(28,35)24(39-4)23(27)29/h5-8,13,16-17,19-24,26,34-35H,9-12,14,31H2,1-4H3/t16-,17-,19+,20+,21-,22+,23-,24+,26+,27+,28-,29+,30+/m1/s1
InChIKey YMHZMVWRRKZCMN-JLMMWAONSA-N
Mol Weight 556.7 g/mol
Molecular Formula C30H40N2O8
Exact Mass 556.278466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J7u1c9bFCDT
Name PACIFIDINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40N2O8
InChI InChI=1S/C30H40N2O8/c1-36-19-12-28(34)21-17(11-16(19)22(21)38-3)29-20(37-2)9-10-27(14-40-25(33)15-7-5-6-8-18(15)31)13-32-26(29)30(28,35)24(39-4)23(27)29/h5-8,13,16-17,19-24,26,34-35H,9-12,14,31H2,1-4H3/t16-,17-,19+,20+,21-,22+,23-,24+,26+,27+,28-,29+,30+/m1/s1
InChIKey YMHZMVWRRKZCMN-JLMMWAONSA-N
Literature Reference Author K.WADA,T.YAMAMOTO,H.BANDO,N.KAWAHARA
Literature Reference Citation PHYTOCHEM.,31,2135(1992)
Literature Reference DOI 10.1016/0031-9422(92)80380-W
Molecular Weight 556.656 g/mol
Solvent CDCl3
Source File Reference UWVN6147