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4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester

View entire compound with spectra: 1 NMR

4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester
SpectraBase Compound ID JRRRKzA48uH
InChI InChI=1S/C29H35NO6/c1-6-18(2)27-20(4)17-24-25(36-29(32)21-12-14-22(15-13-21)30(33)34)16-11-19(3)28(24)23(27)9-7-8-10-26(31)35-5/h6-10,12-15,17,19,23-25,27-28H,11,16H2,1-5H3/b9-7+,10-8+,18-6+/t19-,23+,24+,25-,27+,28-/m1/s1
InChIKey ZMVFZQUHAVPKMC-ZRCSCMEASA-N
Mol Weight 493.6 g/mol
Molecular Formula C29H35NO6
Exact Mass 493.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5vKDAcitgZ
Name 4-nitrobenzoic acid [(1R,4R,4aR,5R,6S,8aS)-5-[(1E,3E)-5-keto-5-methoxy-penta-1,3-dienyl]-4,7-dimethyl-6-[(E)-1-methylprop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl] ester
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35NO6
InChI InChI=1S/C29H35NO6/c1-6-18(2)27-20(4)17-24-25(36-29(32)21-12-14-22(15-13-21)30(33)34)16-11-19(3)28(24)23(27)9-7-8-10-26(31)35-5/h6-10,12-15,17,19,23-25,27-28H,11,16H2,1-5H3/b9-7+,10-8+,18-6+/t19-,23+,24+,25-,27+,28-/m1/s1
InChIKey ZMVFZQUHAVPKMC-ZRCSCMEASA-N
Literature Reference Author D.N.QUANG,M.STADLER,J.FOURNIER,Y.ASAKAWA
Literature Reference Citation J.NAT.PROD.,69,1198(2006)
Literature Reference DOI 10.1021/np0602057
Molecular Weight 493.600 g/mol
Solvent CDCl3
Source File Reference UWMZ15592