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(E)-3-methoxy-N-methyl-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-7-methyl-4,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]but-2-enamide

View entire compound with spectra: 1 MS (GC)

(E)-3-methoxy-N-methyl-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-7-methyl-4,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]but-2-enamide
SpectraBase Compound ID KQKsV5lNxC7
InChI InChI=1S/C34H44N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,23-24,31-32,38-39H,8,10,15,18-19H2,1-6H3/b9-7-,13-11-,14-12+,25-20+/t23?,24-,31+,32-/m0/s1
InChIKey YIAOKSMOIJEDIZ-ACGHIZBPSA-N
Mol Weight 592.7 g/mol
Molecular Formula C34H44N2O7
Exact Mass 592.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcMDlS85yGA
Name (E)-3-methoxy-N-methyl-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-7-methyl-4,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]but-2-enamide
Alternate Name(s) (E)-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-1-keto-7-methyl-isochroman-3-yl]propyl]oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methyl-but-2-enamide (E)-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]propyl]-2-oxazolyl]dodeca-2,6,8-trienyl]-3-methoxy-N-methyl-2-butenamide (E)-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydroisochromen-3-yl]propyl]-1,3-oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methylbut-2-enamide (E)-N-[(2E,6Z,8Z)-11-[4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-isochroman-3-yl]propyl]oxazol-2-yl]dodeca-2,6,8-trienyl]-3-methoxy-N-methyl-but-2-enamide
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Formula C34H44N2O7
InChI InChI=1S/C34H44N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,23-24,31-32,38-39H,8,10,15,18-19H2,1-6H3/b9-7-,13-11-,14-12+,25-20+/t23?,24-,31+,32-/m0/s1
InChIKey YIAOKSMOIJEDIZ-ACGHIZBPSA-N
Molecular Weight 592.733 g/mol
SMILES Oc1c(ccc2c1C(O[C@]([C@@]2(O)[H])([C@](Cc1nc(C(C\C=C/C=C\CC\C=C\CN(C(\C=C/(OC)C)=O)C)C)oc1)(C)[H])[H])=O)C
SPLASH splash10-01qa-9656130000-45f4d9e106db7866d953
Source of Spectrum K1-2002-921-2
Wiley ID 1522213