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(2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-6-(4'-methylphenylethynyl)-5-nitro-4-phenyltetrahydro-2H-pyran
SpectraBase Compound ID 7cVISvlUvK9
InChI InChI=1S/C24H25NO5/c1-16-10-12-18(13-11-16)14-15-20-23(25(27)28)21(19-8-6-5-7-9-19)22(17(2)26)24(3,29-4)30-20/h5-13,20-23H,1-4H3/t20-,21-,22-,23+,24+/m1/s1
InChIKey VCWRXKSKZZVMRE-VDLPQLTJSA-N
Mol Weight 407.47 g/mol
Molecular Formula C24H25NO5
Exact Mass 407.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HeBYzHLpdC
Name (2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-6-(4'-methylphenylethynyl)-5-nitro-4-phenyltetrahydro-2H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO5
InChI InChI=1S/C24H25NO5/c1-16-10-12-18(13-11-16)14-15-20-23(25(27)28)21(19-8-6-5-7-9-19)22(17(2)26)24(3,29-4)30-20/h5-13,20-23H,1-4H3/t20-,21-,22-,23+,24+/m1/s1
InChIKey VCWRXKSKZZVMRE-VDLPQLTJSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 407.466 g/mol
SMILES [C@]1(O[C@](C#Cc2ccc(cc2)C)([C@]([N+](=O)[O-])([C@@]([C@]1(C(=O)C)[H])(c1ccccc1)[H])[H])[H])(OC)C
SPLASH splash10-014l-1931000000-e5d5db1e8f175fbce132
Source of Spectrum A1-16-3636/SM8-6h
Synonyms 1-((2S,3S,4S,5R,6R)-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(p-tolylethynyl)tetrahydro-2H-pyran-3-yl)ethanone
Wiley ID 1749534