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(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC-ACID;ADDA
SpectraBase Compound ID 54MBRdC2HcQ
InChI InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1
InChIKey HJVCHYDYCYBBQX-HLTLHRPFSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iCjJ9Wj5AL
Name (2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC-ACID;ADDA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1
InChIKey HJVCHYDYCYBBQX-HLTLHRPFSA-N
Literature Reference Author K.I.HARADA,S.IMANISHI,H.KATO,M.MIZUNO,E.ITO,K.TSUJI
Literature Reference Citation TOXICON,44,107(2004)
Literature Reference DOI 10.1016/j.toxicon.2004.04.003
Molecular Weight 331.455 g/mol
Sample ID 73412
Solvent CD3OD