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5-({(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}methyl)-5-methyl-3-(2-phenyl-2-oxoethyl)-4,5-dihydropyrazole

View entire compound with spectra: 2 MS (GC)

5-({(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}methyl)-5-methyl-3-(2-phenyl-2-oxoethyl)-4,5-dihydropyrazole
SpectraBase Compound ID 6tVSDkbjLix
InChI InChI=1S/C25H36N2O6/c1-14(15(2)28)24-20(33-24)9-17-13-32-21(23(31)22(17)30)12-25(3)11-18(26-27-25)10-19(29)16-7-5-4-6-8-16/h4-8,14-15,17,20-24,27-28,30-31H,9-13H2,1-3H3/t14-,15-,17-,20-,21-,22+,23-,24-,25+/m0/s1
InChIKey XVRTZBCVBKZPMV-SZVMKHCSSA-N
Mol Weight 460.6 g/mol
Molecular Formula C25H36N2O6
Exact Mass 460.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J28B1TORGUZ
Name 5-({(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}methyl)-5-methyl-3-(2-phenyl-2-oxoethyl)-4,5-dihydropyrazole
Alternate Name(s) 5-({(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}methyl)-5-methyl-3-(2-phenyl-2-oxoethyl)-4,5-dihydropyrazole isomer 2-(5-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]methyl}-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-1-phenylethan-1-one 2-[(5R)-5-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]methyl]-5-methyl-1,4-dihydropyrazol-3-yl]-1-phenylethanone 2-[(5R)-5-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]methyl]-5-methyl-1,4-dihydropyrazol-3-yl]-1-phenylethanone 2-[(5R)-5-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]methyl]-5-methyl-1,4-dihydropyrazol-3-yl]-1-phenyl-ethanone 2-[(5R)-5-[[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]methyl]-5-methyl-1,4-dihydropyrazol-3-yl]-1-phenyl-ethanone
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Formula C25H36N2O6
InChI InChI=1S/C25H36N2O6/c1-14(15(2)28)24-20(33-24)9-17-13-32-21(23(31)22(17)30)12-25(3)11-18(26-27-25)10-19(29)16-7-5-4-6-8-16/h4-8,14-15,17,20-24,27-28,30-31H,9-13H2,1-3H3/t14-,15-,17-,20-,21-,22+,23-,24-,25+/m0/s1
InChIKey XVRTZBCVBKZPMV-SZVMKHCSSA-N
Molecular Weight 460.571 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C[C@@]1(NN=C(C1)CC(=O)c1ccccc1)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0udi-0090000000-7b005c80d72e09e75bd4
Source of Spectrum KC-0-2664-6
Wiley ID 782301