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[(1S,2R,3R,4S,5R)-4-acetamido-2-acetoxy-3-benzyloxy-5-nitro-cyclopentyl]methyl benzoate
SpectraBase Compound ID 8ZZff2msv6h
InChI InChI=1S/C24H26N2O8/c1-15(27)25-20-21(26(30)31)19(14-33-24(29)18-11-7-4-8-12-18)22(34-16(2)28)23(20)32-13-17-9-5-3-6-10-17/h3-12,19-23H,13-14H2,1-2H3,(H,25,27)/t19-,20+,21-,22-,23-/m1/s1
InChIKey RKCZFEKNZWOCJR-PFDCGNQRSA-N
Mol Weight 470.48 g/mol
Molecular Formula C24H26N2O8
Exact Mass 470.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iueteZaLvA
Name [(1S,2R,3R,4S,5R)-4-acetamido-2-acetoxy-3-benzyloxy-5-nitro-cyclopentyl]methyl benzoate
CAS Registry Number 132072-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O8
InChI InChI=1S/C24H26N2O8/c1-15(27)25-20-21(26(30)31)19(14-33-24(29)18-11-7-4-8-12-18)22(34-16(2)28)23(20)32-13-17-9-5-3-6-10-17/h3-12,19-23H,13-14H2,1-2H3,(H,25,27)/t19-,20+,21-,22-,23-/m1/s1
InChIKey RKCZFEKNZWOCJR-PFDCGNQRSA-N
Molecular Weight 470.478 g/mol
SMILES N([C@]1([C@@]([C@]([C@@](OC(=O)C)([C@@]1(OCc1ccccc1)[H])[H])(COC(=O)c1ccccc1)[H])(N(=O)=O)[H])[H])C(=O)C
SPLASH splash10-0006-9300000000-cc49df0e1ec8c550565e
Source of Spectrum F-46-7468-21
Synonyms [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxy-cyclopentyl]methyl benzoate benzoic acid [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl ester [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl benzoate
Wiley ID 1392781