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2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alp ha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID LOEvRNXDnQT
InChI InChI=1S/C24H32N2O6/c1-13(10-20-25-26-24(32-20)16-7-5-4-6-8-16)9-18-22(29)21(28)17(12-30-18)11-19-23(31-19)14(2)15(3)27/h4-8,10,14-15,17-19,21-23,27-29H,9,11-12H2,1-3H3/b13-10+/t14-,15?,17-,18-,19?,21+,22-,23?/m0/s1
InChIKey PPZDFUHASMEROU-DFPAPIOVSA-N
Mol Weight 444.5 g/mol
Molecular Formula C24H32N2O6
Exact Mass 444.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aw17vrORuCH
Name 2H-Pyran-3,4-diol, tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-[2-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-propenyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alp ha.[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-1,3,4-oxadiazol-2-yl)prop-2-en-1-yl]oxane-3,4-diol 2-Normonyl-5-phenyl-1,3,4-oxadiazole 3-[5-(2,3-epooxy-5-hydroxy-4-methylhexyyl)-3,4-dihydroxytetrahydropyran-2-yl]-2-methylprop-1(E)-en-1-yl-2-(5-phenyl-1,3,4-oxadiazole)
CAS Registry Number 127912-75-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O6
InChI InChI=1S/C24H32N2O6/c1-13(10-20-25-26-24(32-20)16-7-5-4-6-8-16)9-18-22(29)21(28)17(12-30-18)11-19-23(31-19)14(2)15(3)27/h4-8,10,14-15,17-19,21-23,27-29H,9,11-12H2,1-3H3/b13-10+/t14-,15?,17-,18-,19?,21+,22-,23?/m0/s1
InChIKey PPZDFUHASMEROU-DFPAPIOVSA-N
Molecular Weight 444.528 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1oc(-c2ccccc2)nn1)C)[H])[H])(C)[H])C
SPLASH splash10-0udi-0090000000-d3bcafc5debb5d12eaba
Source of Spectrum KC-1989-2056-2
Wiley ID 1385993