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2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[5-[4-(methylsulfonyl)phenyl]-2-oxazolyl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID GGnXfTIriq2
InChI InChI=1S/C26H35NO8S/c1-14(10-23-27-12-22(34-23)17-5-7-19(8-6-17)36(4,31)32)9-20-25(30)24(29)18(13-33-20)11-21-26(35-21)15(2)16(3)28/h5-8,10,12,15-16,18,20-21,24-26,28-30H,9,11,13H2,1-4H3/b14-10+/t15-,16?,18-,20-,21?,24+,25-,26?/m0/s1
InChIKey LQIHQTRGWFLOOT-BZDFLOLKSA-N
Mol Weight 521.6 g/mol
Molecular Formula C26H35NO8S
Exact Mass 521.208338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcqP8wcNXV2
Name 2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-[5-[4-(methylsulfonyl)phenyl]-2-oxazolyl]-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
Alternate Name(s) (2S,3R,4R,5S)-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)-2-[(2E)-3-[5-(4-methanesulfonylphenyl)-1,3-oxazol-2-yl]-2-methylprop-2-en-1-yl]oxane-3,4-diol 5-p-methylsulphonylphenyl-2-normonyloxazole
CAS Registry Number 127862-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO8S
InChI InChI=1S/C26H35NO8S/c1-14(10-23-27-12-22(34-23)17-5-7-19(8-6-17)36(4,31)32)9-20-25(30)24(29)18(13-33-20)11-21-26(35-21)15(2)16(3)28/h5-8,10,12,15-16,18,20-21,24-26,28-30H,9,11,13H2,1-4H3/b14-10+/t15-,16?,18-,20-,21?,24+,25-,26?/m0/s1
InChIKey LQIHQTRGWFLOOT-BZDFLOLKSA-N
Molecular Weight 521.625 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1ncc(o1)-c1ccc(S(=O)(=O)C)cc1)C)[H])[H])(C)[H])C
SPLASH splash10-004i-0091010000-c68f74b61a43c6a20154
Source of Spectrum KC-1989-2062-1
Wiley ID 1402109