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2-[(E)-N-(3,4-epoxy-3-methyl-2-(3-methoxy-5-methyl-1-naphthanoyloxy)-butanoyl)-N-(ethoxycarbonyl)carbamoyl)]methylidene]-5-phenylthiomethylpyrrolidine

View entire compound with spectra: 1 MS (GC)

2-[(E)-N-(3,4-epoxy-3-methyl-2-(3-methoxy-5-methyl-1-naphthanoyloxy)-butanoyl)-N-(ethoxycarbonyl)carbamoyl)]methylidene]-5-phenylthiomethylpyrrolidine
SpectraBase Compound ID 96xU77KkiI1
InChI InChI=1S/C33H36N2O7S/c1-5-40-32(38)28(27-15-14-21(34-27)18-43-23-11-7-6-8-12-23)35-30(36)29(33(3)19-41-33)42-31(37)26-17-22(39-4)16-25-20(2)10-9-13-24(25)26/h6-13,16-17,21,29,34H,5,14-15,18-19H2,1-4H3,(H,35,36)/b28-27+/t21-,29?,33?/m1/s1
InChIKey KWQBEIHDNHYIIA-XOIMMFGASA-N
Mol Weight 604.7 g/mol
Molecular Formula C33H36N2O7S
Exact Mass 604.224323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwrZrMDR6kr
Name 2-[(E)-N-(3,4-epoxy-3-methyl-2-(3-methoxy-5-methyl-1-naphthanoyloxy)-butanoyl)-N-(ethoxycarbonyl)carbamoyl)]methylidene]-5-phenylthiomethylpyrrolidine
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Formula C33H36N2O7S
InChI InChI=1S/C33H36N2O7S/c1-5-40-32(38)28(27-15-14-21(34-27)18-43-23-11-7-6-8-12-23)35-30(36)29(33(3)19-41-33)42-31(37)26-17-22(39-4)16-25-20(2)10-9-13-24(25)26/h6-13,16-17,21,29,34H,5,14-15,18-19H2,1-4H3,(H,35,36)/b28-27+/t21-,29?,33?/m1/s1
InChIKey KWQBEIHDNHYIIA-XOIMMFGASA-N
Molecular Weight 604.718 g/mol
SMILES N1[C@](CC\C1=C\(NC(C(C1(OC1)C)OC(c1c2c(c(ccc2)C)cc(c1)OC)=O)=O)C(=O)OCC)(CSc1ccccc1)[H]
SPLASH splash10-0002-0900002000-7ab8b431136a6a7f9c22
Source of Spectrum F-59-3095-10
Wiley ID 1677928