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(2S,3S,4S,5R,6R)-3-tert-Butoxycarbonyl-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID HyGzxERsx3
InChI InChI=1S/C26H29NO6/c1-25(2,3)33-24(28)22-21(19-14-10-7-11-15-19)23(27(29)30)20(32-26(22,4)31-5)17-16-18-12-8-6-9-13-18/h6-15,20-23H,1-5H3/t20-,21-,22+,23+,26+/m1/s1
InChIKey MJXIRFAQWOUIRC-IOCWQACJSA-N
Mol Weight 451.52 g/mol
Molecular Formula C26H29NO6
Exact Mass 451.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn3rDQVXZrg
Name (2S,3S,4S,5R,6R)-3-tert-Butoxycarbonyl-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
Alternate Name(s) (2S,3R,4S,5R,6R)-tert-butyl 2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran-3-carboxylate
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821398
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO6
InChI InChI=1S/C26H29NO6/c1-25(2,3)33-24(28)22-21(19-14-10-7-11-15-19)23(27(29)30)20(32-26(22,4)31-5)17-16-18-12-8-6-9-13-18/h6-15,20-23H,1-5H3/t20-,21-,22+,23+,26+/m1/s1
InChIKey MJXIRFAQWOUIRC-IOCWQACJSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 451.519 g/mol
SMILES C(C)(C)(OC([C@]1([C@](O[C@](C#Cc2ccccc2)([C@@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])[H])(OC)C)[H])=O)C
SPLASH splash10-008i-9020100000-1535bda37d0dbe782758
Source of Spectrum A1-16-3636/SM12-6m
Wiley ID 1749539