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(2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-4-(3'-methoxyphenyl)-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran
SpectraBase Compound ID 7YuMQE4JTQo
InChI InChI=1S/C24H25NO6/c1-16(26)22-21(18-11-8-12-19(15-18)29-3)23(25(27)28)20(31-24(22,2)30-4)14-13-17-9-6-5-7-10-17/h5-12,15,20-23H,1-4H3/t20-,21-,22-,23+,24+/m1/s1
InChIKey QHDMSAWPRZVWGL-VDLPQLTJSA-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 2yfUytuGi90
Name (2S,3S,4S,5R,6R)-3-Acetyl-2-methoxy-4-(3'-methoxyphenyl)-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran
Alternate Name(s) 1-((2S,3S,4S,5R,6R)-2-methoxy-4-(3-methoxyphenyl)-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO6
InChI InChI=1S/C24H25NO6/c1-16(26)22-21(18-11-8-12-19(15-18)29-3)23(25(27)28)20(31-24(22,2)30-4)14-13-17-9-6-5-7-10-17/h5-12,15,20-23H,1-4H3/t20-,21-,22-,23+,24+/m1/s1
InChIKey QHDMSAWPRZVWGL-VDLPQLTJSA-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@](c2cc(ccc2)OC)([C@]1(C(=O)C)[H])[H])[H])[H])(OC)C
SPLASH splash10-03di-1694000000-4b16a0a22b94739b9f2f
Source of Spectrum A1-16-3636/SM5-6c
Wiley ID 1749530