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2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-7-keto-2-methyl-4,9-dihydro-3H-pyrano[5,6-g]isoindol-8-yl]-3-phenyl-propionic acid
SpectraBase Compound ID 4QNRi8zGDoa
InChI InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+
InChIKey HSOVHMPKFQKPSJ-CIAFOILYSA-N
Mol Weight 533.7 g/mol
Molecular Formula C32H39NO6
Exact Mass 533.277738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPSPUvSlSUy
Name 2-[2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-7-keto-2-methyl-4,9-dihydro-3H-pyrano[5,6-g]isoindol-8-yl]-3-phenyl-propionic acid
Compound Number SMTP-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H39NO6
InChI InChI=1S/C32H39NO6/c1-20(2)10-8-11-21(3)12-9-15-32(4)28(35)18-24-27(34)17-23-25(29(24)39-32)19-33(30(23)36)26(31(37)38)16-22-13-6-5-7-14-22/h5-7,10,12-14,17,26,28,34-35H,8-9,11,15-16,18-19H2,1-4H3,(H,37,38)/b21-12+
InChIKey HSOVHMPKFQKPSJ-CIAFOILYSA-N
Literature Reference Author K.HASUMI,S.OHYAMA,T.KOHYAMA,Y.OHSAKI,R.TAKAYASU,A.ENDO
Literature Reference Citation J.ANTIBIOTICS,51,1059(1998)
Literature Reference DOI 10.7164/antibiotics.51.1059
Molecular Weight 533.665 g/mol
Solvent DMSO-D6
Source File Reference UWKP1902