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(2S,3S,4S,5R,6R)-2-Ethyl-2-methoxy-3-methoxycarbonyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID CmmdwsIAJ0G
InChI InChI=1S/C24H25NO6/c1-4-24(30-3)21(23(26)29-2)20(18-13-9-6-10-14-18)22(25(27)28)19(31-24)16-15-17-11-7-5-8-12-17/h5-14,19-22H,4H2,1-3H3/t19-,20-,21+,22+,24+/m1/s1
InChIKey PVNKUALDNKUFMU-NTYLBUJVSA-N
Mol Weight 423.47 g/mol
Molecular Formula C24H25NO6
Exact Mass 423.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TPWOowIKE5
Name (2S,3S,4S,5R,6R)-2-Ethyl-2-methoxy-3-methoxycarbonyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
Alternate Name(s) (2S,3R,4S,5R,6R)-methyl 2-ethyl-2-methoxy-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO6
InChI InChI=1S/C24H25NO6/c1-4-24(30-3)21(23(26)29-2)20(18-13-9-6-10-14-18)22(25(27)28)19(31-24)16-15-17-11-7-5-8-12-17/h5-14,19-22H,4H2,1-3H3/t19-,20-,21+,22+,24+/m1/s1
InChIKey PVNKUALDNKUFMU-NTYLBUJVSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 423.465 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)CC
SPLASH splash10-00pj-0291000000-1da5a3e8755ef1a0c820
Source of Spectrum A1-16-3636/SM11-6l
Wiley ID 1749538