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(2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID Kg0o6uw7A0X
InChI InChI=1S/C23H23NO5/c1-16(25)21-20(18-12-8-5-9-13-18)22(24(26)27)19(29-23(21,2)28-3)15-14-17-10-6-4-7-11-17/h4-13,19-22H,1-3H3/t19-,20-,21-,22+,23+/m1/s1
InChIKey PKYDMLHAUJPDRZ-CCSDVLNMSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3UweflWsYO
Name (2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c1-16(25)21-20(18-12-8-5-9-13-18)22(24(26)27)19(29-23(21,2)28-3)15-14-17-10-6-4-7-11-17/h4-13,19-22H,1-3H3/t19-,20-,21-,22+,23+/m1/s1
InChIKey PKYDMLHAUJPDRZ-CCSDVLNMSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 393.439 g/mol
SMILES [C@]1(O[C@](C#Cc2ccccc2)([C@]([N+](=O)[O-])([C@](c2ccccc2)([C@]1(C(=O)C)[H])[H])[H])[H])(OC)C
SPLASH splash10-069s-2941000000-69f4ae9e1fedf80c5999
Source of Spectrum A1-16-3636/SM3-6a
Synonyms 1-((2S,3S,4S,5R,6R)-2-methoxy-2-methyl-5-nitro-4-phenyl-6-(phenylethynyl)tetrahydro-2H-pyran-3-yl)ethanone
Wiley ID 1749528