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methyl (2S,4R)-4-acetoxy-1-[(2S,3S)-2-hydroxy-3-(4-methoxy-N-(2-methoxycarbonyl-3-phenyl-allyl)anilino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

View entire compound with spectra: 1 MS (GC)

methyl (2S,4R)-4-acetoxy-1-[(2S,3S)-2-hydroxy-3-(4-methoxy-N-(2-methoxycarbonyl-3-phenyl-allyl)anilino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID FRO6ZYoAPKI
InChI InChI=1S/C35H38N2O9/c1-23(38)46-29-20-30(35(42)45-4)37(22-29)33(40)32(39)31(25-13-9-6-10-14-25)36(27-15-17-28(43-2)18-16-27)21-26(34(41)44-3)19-24-11-7-5-8-12-24/h5-19,29-32,39H,20-22H2,1-4H3/t29-,30+,31+,32+/m1/s1
InChIKey VMFWKESUUPBVHO-ZLESDFJESA-N
Mol Weight 630.7 g/mol
Molecular Formula C35H38N2O9
Exact Mass 630.257731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESv7tWiZE2K
Name methyl (2S,4R)-4-acetoxy-1-[(2S,3S)-2-hydroxy-3-(4-methoxy-N-(2-methoxycarbonyl-3-phenyl-allyl)anilino)-3-phenyl-propanoyl]pyrrolidine-2-carboxylate
Appearance Gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.257730803 u
Formula C35H38N2O9
InChI InChI=1S/C35H38N2O9/c1-23(38)46-29-20-30(35(42)45-4)37(22-29)33(40)32(39)31(25-13-9-6-10-14-25)36(27-15-17-28(43-2)18-16-27)21-26(34(41)44-3)19-24-11-7-5-8-12-24/h5-19,29-32,39H,20-22H2,1-4H3/t29-,30+,31+,32+/m1/s1
InChIKey VMFWKESUUPBVHO-ZLESDFJESA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.803
Molecular Weight 630.694 g/mol
Quality 44
SMILES O[C@@]([C@@](N(CC(C(OC)=O)=CC1=CC=CC=C1)C1=CC=C(C=C1)OC)(C1=CC=CC=C1)[H])(C(N1[C@@](C[C@](C1)(OC(C)=O)[H])(C(=O)OC)[H])=O)[H]
SPLASH splash10-000i-1369001000-79c1465e2ce48043b629
Source of Spectrum ARK-2001-26-3a (DOI: 10.3998/ark.5550190.0002.803)
Wiley ID 1908854