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2H-Pyran-3,4-diol, 2-[3-(2-benzoxazolyl)-2-methyl-2-propenyl]tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID HjfHiuYZ5Vd
InChI InChI=1S/C23H31NO6/c1-12(9-20-24-16-6-4-5-7-17(16)29-20)8-18-22(27)21(26)15(11-28-18)10-19-23(30-19)13(2)14(3)25/h4-7,9,13-15,18-19,21-23,25-27H,8,10-11H2,1-3H3/b12-9+/t13-,14?,15-,18-,19?,21+,22-,23?/m0/s1
InChIKey RTNMCJDNSSZEKI-GXJBPSCYSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H31NO6
Exact Mass 417.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KO1cleunTvG
Name 2H-Pyran-3,4-diol, 2-[3-(2-benzoxazolyl)-2-methyl-2-propenyl]tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 127862-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO6
InChI InChI=1S/C23H31NO6/c1-12(9-20-24-16-6-4-5-7-17(16)29-20)8-18-22(27)21(26)15(11-28-18)10-19-23(30-19)13(2)14(3)25/h4-7,9,13-15,18-19,21-23,25-27H,8,10-11H2,1-3H3/b12-9+/t13-,14?,15-,18-,19?,21+,22-,23?/m0/s1
InChIKey RTNMCJDNSSZEKI-GXJBPSCYSA-N
Molecular Weight 417.502 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\c1nc2ccccc2o1)C)[H])[H])(C)[H])C
SPLASH splash10-00dl-9400000000-1ca22e89978e337d68f9
Source of Spectrum KC-1989-2056-2
Synonyms (2S,3R,4R,5S)-2-[(2E)-3-(1,3-benzoxazol-2-yl)-2-methylprop-2-en-1-yl]-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxane-3,4-diol 3-[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydropyran-2-yl]-2-methylprop-1(E)-en-1-yl-2-(1,3)-benzoxazole E-2-normonyl-1,3-benzoxazole
Wiley ID 1376844