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2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-(5-phenyl-3-isoxazolyl)-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*, 2R*)]]]-
SpectraBase Compound ID 1KRMUkVc15O
InChI InChI=1S/C25H33NO6/c1-14(9-19-12-20(32-26-19)17-7-5-4-6-8-17)10-21-24(29)23(28)18(13-30-21)11-22-25(31-22)15(2)16(3)27/h4-9,12,15-16,18,21-25,27-29H,10-11,13H2,1-3H3/b14-9+/t15-,16?,18-,21-,22?,23+,24-,25?/m0/s1
InChIKey AJLNACXZFDRLES-QHULYSPGSA-N
Mol Weight 443.5 g/mol
Molecular Formula C25H33NO6
Exact Mass 443.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 958OJWfGgfa
Name 2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-(5-phenyl-3-isoxazolyl)-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)-2-methyl-3-(5-phenyl-1,2-oxazol-3-yl)prop-2-en-1-yl]oxane-3,4-diol 3-Normonyl-5-phenylisoxazole 3-[5-(2,3-epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxy-3,4-tetrahydropyran-2-yl]-2-methylprop-1(E)-en-1-yl-5-phenylisoxazole
CAS Registry Number 89102-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO6
InChI InChI=1S/C25H33NO6/c1-14(9-19-12-20(32-26-19)17-7-5-4-6-8-17)10-21-24(29)23(28)18(13-30-21)11-22-25(31-22)15(2)16(3)27/h4-9,12,15-16,18,21-25,27-29H,10-11,13H2,1-3H3/b14-9+/t15-,16?,18-,21-,22?,23+,24-,25?/m0/s1
InChIKey AJLNACXZFDRLES-QHULYSPGSA-N
Molecular Weight 443.540 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1noc(c1)-c1ccccc1)C)[H])[H])(C)[H])C
SPLASH splash10-052e-8910000000-1c77c56bd28d6e471689
Source of Spectrum KC-1989-2053-2
Wiley ID 1385742