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(4S,5S)-4-Acetoxymethyl-5-[(E)-11-(2-pentyl-[1,3]dioxolan-2-yl)-undec-3-enyl]-2-phenyl-4,5-dihydro-oxazole-4-carboxylic acid methyl ester
SpectraBase Compound ID IbKEFJGBulO
InChI InChI=1S/C33H49NO7/c1-4-5-17-22-32(39-24-25-40-32)23-18-12-10-8-6-7-9-11-16-21-29-33(31(36)37-3,26-38-27(2)35)34-30(41-29)28-19-14-13-15-20-28/h9,11,13-15,19-20,29H,4-8,10,12,16-18,21-26H2,1-3H3/b11-9+/t29-,33-/m0/s1
InChIKey XWYIKWRDCCZTCQ-QRFJXIOWSA-N
Mol Weight 571.8 g/mol
Molecular Formula C33H49NO7
Exact Mass 571.350903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lRhY1DnFi4
Name (4S,5S)-4-Acetoxymethyl-5-[(E)-11-(2-pentyl-[1,3]dioxolan-2-yl)-undec-3-enyl]-2-phenyl-4,5-dihydro-oxazole-4-carboxylic acid methyl ester
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Formula C33H49NO7
InChI InChI=1S/C33H49NO7/c1-4-5-17-22-32(39-24-25-40-32)23-18-12-10-8-6-7-9-11-16-21-29-33(31(36)37-3,26-38-27(2)35)34-30(41-29)28-19-14-13-15-20-28/h9,11,13-15,19-20,29H,4-8,10,12,16-18,21-26H2,1-3H3/b11-9+/t29-,33-/m0/s1
InChIKey XWYIKWRDCCZTCQ-QRFJXIOWSA-N
Molecular Weight 571.755 g/mol
SMILES [C@]1(N=C(c2ccccc2)O[C@]1(CC\C=C\CCCCCCCC1(OCCO1)CCCCC)[H])(C(=O)OC)COC(=O)C
SPLASH splash10-0a4r-1900620000-7afd61294f2c8d110fe9
Source of Spectrum H1-52-1200-11
Synonyms Methyl (4S,5S)-4-Acetoxymethyl-5-{(3E)-11,11-ethylenedioxyheptadec-3-enyl}-2-phenyl-.delta.(2)-oxazoline-4-carboxylate Methyl (4S,5S)-4-Acetoxymethyl-5-{(3E)-11,11-ethylenedioxyheptadec-3-enyl}-2-phenyl-delta-(2)-oxazoline-4-carboxylate Methyl (4S,5S)-4-[(acetyloxy)methyl]-5-[(3E)-11-(2-pentyl-1,3-dioxolan-2-yl)-3-undecenyl]-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Wiley ID 817631