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(2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-4-(3',4'-methylenedioxyphenyl)-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID G87m2UZGl0D
InChI InChI=1S/C24H23NO7/c1-15(26)22-21(17-10-12-18-20(13-17)31-14-30-18)23(25(27)28)19(32-24(22,2)29-3)11-9-16-7-5-4-6-8-16/h4-8,10,12-13,19,21-23H,14H2,1-3H3/t19-,21-,22-,23+,24+/m1/s1
InChIKey SOMDVKQQZUYRNL-GKMGCJOJSA-N
Mol Weight 437.45 g/mol
Molecular Formula C24H23NO7
Exact Mass 437.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hsBbUJZSFi
Name (2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-2-methyl-4-(3',4'-methylenedioxyphenyl)-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran
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Formula C24H23NO7
InChI InChI=1S/C24H23NO7/c1-15(26)22-21(17-10-12-18-20(13-17)31-14-30-18)23(25(27)28)19(32-24(22,2)29-3)11-9-16-7-5-4-6-8-16/h4-8,10,12-13,19,21-23H,14H2,1-3H3/t19-,21-,22-,23+,24+/m1/s1
InChIKey SOMDVKQQZUYRNL-GKMGCJOJSA-N
Literature Reference DOI 10.1021/ol501236a
Molecular Weight 437.448 g/mol
SMILES [C@]1(O[C@](C#Cc2ccccc2)([C@]([N+](=O)[O-])([C@](c2ccc3c(c2)OCO3)([C@]1(C(=O)C)[H])[H])[H])[H])(OC)C
SPLASH splash10-00or-0692000000-b45c5f50f7ef3cad509b
Source of Spectrum A1-16-3636/SM5-6d
Synonyms 1-((2S,3S,4S,5R,6R)-4-(benzo[d][1,3]dioxol-5-yl)-2-methoxy-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran-3-yl)ethanone
Wiley ID 1749531