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4-Tetradecenamide, N-((2Z)-2-((1S,3R,4R,6S)-4-(acetyloxy)-3-methyl-2-oxo-7-oxabicyclo(4.1.0)hept-1-yl)-3-chloro-2-propenyl)-7-methoxy-N-methyl-, (4E,7S)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Tetradecenamide, N-((2Z)-2-((1S,3R,4R,6S)-4-(acetyloxy)-3-methyl-2-oxo-7-oxabicyclo(4.1.0)hept-1-yl)-3-chloro-2-propenyl)-7-methoxy-N-methyl-, (4E,7S)-
SpectraBase Compound ID 9EsuAdnJ0rr
InChI InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1
InChIKey PBSMCFLXUIGLJN-PMETZGSZSA-N
Mol Weight 526.1 g/mol
Molecular Formula C28H44ClNO6
Exact Mass 525.285716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Q9qA8L6cuu
Name 4-Tetradecenamide, N-((2Z)-2-((1S,3R,4R,6S)-4-(acetyloxy)-3-methyl-2-oxo-7-oxabicyclo(4.1.0)hept-1-yl)-3-chloro-2-propenyl)-7-methoxy-N-methyl-, (4E,7S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.285715835 u
Formula C28H44ClNO6
InChI InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1
InChIKey PBSMCFLXUIGLJN-PMETZGSZSA-N
Molecular Weight 526.114 g/mol
SMILES [C@]12(O[C@]2(C[C@]([C@](C1=O)(C)[H])(OC(=O)C)[H])[H])\C(CN(C(=O)CC\C=C\C[C@@](OC)(CCCCCCC)[H])C)=C/Cl