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Methyl (4S,5R,6S)-4-Benzyloxy-5-acetamido-6,7-O-isopropylideneheptenoate isomer
SpectraBase Compound ID HaJ9lh75NGX
InChI InChI=1S/C21H29NO7/c1-14(23)22-19(18-13-28-21(2,3)29-18)16(11-17(25-4)20(24)26-5)27-12-15-9-7-6-8-10-15/h6-11,16,18-19H,12-13H2,1-5H3,(H,22,23)/b17-11-/t16-,18-,19+/m0/s1
InChIKey XQDCGCDRBZNXPP-URJCDIQJSA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhLqT4Yw0aT
Name Methyl (4S,5R,6S)-4-Benzyloxy-5-acetamido-6,7-O-isopropylideneheptenoate isomer
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Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-14(23)22-19(18-13-28-21(2,3)29-18)16(11-17(25-4)20(24)26-5)27-12-15-9-7-6-8-10-15/h6-11,16,18-19H,12-13H2,1-5H3,(H,22,23)/b17-11-/t16-,18-,19+/m0/s1
InChIKey XQDCGCDRBZNXPP-URJCDIQJSA-N
Molecular Weight 407.463 g/mol
SMILES N([C@]([C@](\C=C\(C(=O)OC)OC)(OCc1ccccc1)[H])([C@]1(OC(C)(C)OC1)[H])[H])C(=O)C
SPLASH splash10-0006-9023100000-c238f0b1778dd265d6f1
Source of Spectrum J-67-3528-25
Synonyms (Z,4S,5R)-5-acetamido-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-4-phenylmethoxy-2-pentenoic acid methyl ester Methyl (Z,4S,5R)-5-acetamido-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-4-phenylmethoxypent-2-enoate Methyl (Z,4S,5R)-5-acetamido-4-benzyloxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-pent-2-enoate Methyl (Z,4S,5R)-5-acetamido-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxy-4-phenylmethoxy-pent-2-enoate
Wiley ID 1569853