Rac-ethyl (2S,3S)-3-hydroxy-2-[(2R,4R)-5-methyl-2,4-bis(4-nitrophenyl)-4H-1,3-dioxin-6-yl]-3-(4-nitrophenyl)propanoate

SpectraBase Compound ID	1LitsepKWfJ
InChI	InChI=1S/C28H25N3O11/c1-3-40-27(33)23(24(32)17-4-10-20(11-5-17)29(34)35)26-16(2)25(18-6-12-21(13-7-18)30(36)37)41-28(42-26)19-8-14-22(15-9-19)31(38)39/h4-15,23-25,28,32H,3H2,1-2H3/t23-,24+,25-,28+/m0/s1
InChIKey	GDKKJHLCRYYRQE-HLPJKERBSA-N Google Search
Mol Weight	579.52 g/mol
Molecular Formula	C28H25N3O11
Exact Mass	579.148909 g/mol

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SpectraBase Spectrum ID	E7xEBV4tsmS
Name	Rac-ethyl (2S,3S)-3-hydroxy-2-[(2R,4R)-5-methyl-2,4-bis(4-nitrophenyl)-4H-1,3-dioxin-6-yl]-3-(4-nitrophenyl)propanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H25N3O11
InChI	InChI=1S/C28H25N3O11/c1-3-40-27(33)23(24(32)17-4-10-20(11-5-17)29(34)35)26-16(2)25(18-6-12-21(13-7-18)30(36)37)41-28(42-26)19-8-14-22(15-9-19)31(38)39/h4-15,23-25,28,32H,3H2,1-2H3/t23-,24+,25-,28+/m0/s1
InChIKey	GDKKJHLCRYYRQE-HLPJKERBSA-N
Literature Reference DOI	10.1002/adsc.201200807
Molecular Weight	579.518 g/mol
SMILES	O[C@@]([C@@](C1=C([C@@](c2ccc([N+]([O-])=O)cc2)(O[C@](O1)(c1ccc([N+]([O-])=O)cc1)[H])[H])C)(C(=O)OCC)[H])(c1ccc([N+]([O-])=O)cc1)[H]
SPLASH	splash10-0udi-6920000000-840581a188c106b90fe6
Source of Spectrum	ASC-355-n/a/SM4-4a
Synonyms	(2S,3S)-ethyl 3-hydroxy-2-((2R,4R)-5-methyl-2,4-bis(4-nitrophenyl)-4H-1,3-dioxin-6-yl)-3-(4-nitrophenyl)propanoate
Wiley ID	1761909