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AK-TOXIN-I;8-[(2'S,3'S)-2'-ACETYLAMINO-3'-METHYL-3'-PHENYL-PROPIONYLOXY]-9,10-EPOXY-9-METHYL-DECA-(2E,4Z,6E)-TRIENOIC-ACID

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AK-TOXIN-I;8-[(2'S,3'S)-2'-ACETYLAMINO-3'-METHYL-3'-PHENYL-PROPIONYLOXY]-9,10-EPOXY-9-METHYL-DECA-(2E,4Z,6E)-TRIENOIC-ACID
SpectraBase Compound ID BO82AkBW7PB
InChI InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+/t16-,19+,21-,23-/m0/s1
InChIKey HGSOUJPIFSDBKJ-NXMDIZJTSA-N
Mol Weight 413.47 g/mol
Molecular Formula C23H27NO6
Exact Mass 413.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoY4wrLEnia
Name AK-TOXIN-I;8-[(2'S,3'S)-2'-ACETYLAMINO-3'-METHYL-3'-PHENYL-PROPIONYLOXY]-9,10-EPOXY-9-METHYL-DECA-(2E,4Z,6E)-TRIENOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-16(18-11-7-6-8-12-18)21(24-17(2)25)22(28)30-19(23(3)15-29-23)13-9-4-5-10-14-20(26)27/h4-14,16,19,21H,15H2,1-3H3,(H,24,25)(H,26,27)/b5-4-,13-9+,14-10+/t16-,19+,21-,23-/m0/s1
InChIKey HGSOUJPIFSDBKJ-NXMDIZJTSA-N
Literature Reference Author T.NAKASHIMA,T.UENO,H.FUKAMI,T.TAGA,H.MASUDA,K.OSAKI,H.OTANI, K.KOHMOTO
Literature Reference Citation AGR.BIOL.CHEM.,49,807(1985)
Literature Reference DOI 10.1271/bbb1961.49.807
Molecular Weight 413.470 g/mol
Solvent CD3OD
Source File Reference UWIR8443