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CESPITULACTAM_J

View entire compound with spectra: 1 NMR, and 1 MS (GC)

CESPITULACTAM_J
SpectraBase Compound ID EauIav7eS9p
InChI InChI=1S/C30H38N2O2/c1-19-9-10-22-11-12-25-28(30(22,3)4)27(17-20(2)16-23(33)15-19)32(29(25)34)14-13-21-18-31-26-8-6-5-7-24(21)26/h5-8,16,18,22-23,27,31,33H,1,9-15,17H2,2-4H3/b20-16+/t22-,23+,27-/m1/s1
InChIKey ABTDHHPHHKFQBT-USINTNLNSA-N
Mol Weight 458.6 g/mol
Molecular Formula C30H38N2O2
Exact Mass 458.293328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFQ7Q7gREAc
Name CESPITULACTAM_J
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38N2O2
InChI InChI=1S/C30H38N2O2/c1-19-9-10-22-11-12-25-28(30(22,3)4)27(17-20(2)16-23(33)15-19)32(29(25)34)14-13-21-18-31-26-8-6-5-7-24(21)26/h5-8,16,18,22-23,27,31,33H,1,9-15,17H2,2-4H3/b20-16+/t22-,23+,27-/m1/s1
InChIKey ABTDHHPHHKFQBT-USINTNLNSA-N
Literature Reference Author Y.C.SHEN,Y.B.CHENG,J.KOBAYASHI,T.KUBOTA,Y.TAKAHASHI,Y.MIKAMI ,J.ITO,Y.S.LIN
Literature Reference Citation J.NAT.PROD.,70,1961(2007)
Literature Reference DOI 10.1021/np078011u
Molecular Weight 458.644 g/mol
Sample ID 31214
Solvent CDCl3