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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]-4-methyl-valeric acid

View entire compound with spectra: 1 NMR

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]-4-methyl-valeric acid
SpectraBase Compound ID 30e5dA886WD
InChI InChI=1S/C29H41NO6/c1-17(2)9-7-10-19(5)11-8-12-29(6)25(32)15-21-24(31)14-20-22(26(21)36-29)16-30(27(20)33)23(28(34)35)13-18(3)4/h9,11,14,18,23,25,31-32H,7-8,10,12-13,15-16H2,1-6H3,(H,34,35)/b19-11+
InChIKey SFWATHVUVKCXSG-YBFXNURJSA-N
Mol Weight 499.6 g/mol
Molecular Formula C29H41NO6
Exact Mass 499.293388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oqx7EBNxEV
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]-4-methyl-valeric acid
Compound Number SMTP-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H41NO6
InChI InChI=1S/C29H41NO6/c1-17(2)9-7-10-19(5)11-8-12-29(6)25(32)15-21-24(31)14-20-22(26(21)36-29)16-30(27(20)33)23(28(34)35)13-18(3)4/h9,11,14,18,23,25,31-32H,7-8,10,12-13,15-16H2,1-6H3,(H,34,35)/b19-11+
InChIKey SFWATHVUVKCXSG-YBFXNURJSA-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 499.648 g/mol
Solvent Unknown
Source File Reference UWKP1903