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(2S,3S,4S,5R,6R)-2-Methoxy-3-methoxycarbonyl-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID AtqOV5sMM1P
InChI InChI=1S/C23H23NO6/c1-23(29-3)20(22(25)28-2)19(17-12-8-5-9-13-17)21(24(26)27)18(30-23)15-14-16-10-6-4-7-11-16/h4-13,18-21H,1-3H3/t18-,19-,20+,21+,23+/m1/s1
InChIKey VGRZSROXEXVYRM-RBRWEJTLSA-N
Mol Weight 409.44 g/mol
Molecular Formula C23H23NO6
Exact Mass 409.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pIVMD2BJ5U
Name (2S,3S,4S,5R,6R)-2-Methoxy-3-methoxycarbonyl-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO6
InChI InChI=1S/C23H23NO6/c1-23(29-3)20(22(25)28-2)19(17-12-8-5-9-13-17)21(24(26)27)18(30-23)15-14-16-10-6-4-7-11-16/h4-13,18-21H,1-3H3/t18-,19-,20+,21+,23+/m1/s1
InChIKey VGRZSROXEXVYRM-RBRWEJTLSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 409.438 g/mol
SMILES [C@]1(O[C@](C#Cc2ccccc2)([C@]([N+](=O)[O-])([C@@]([C@]1(C(=O)OC)[H])(c1ccccc1)[H])[H])[H])(OC)C
SPLASH splash10-053r-2971000000-70eb32cd70a8843cd44b
Source of Spectrum A1-16-3636/SM10-6k
Synonyms (2S,3R,4S,5R,6R)-methyl 2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran-3-carboxylate
Wiley ID 1749537