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2H-Pyran-3,4-diol, 2-[3-(5-ethyl-2-oxazolyl)-2-methyl-2-propenyl]tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID F7wG0lJZ1Dh
InChI InChI=1S/C21H33NO6/c1-5-15-9-22-18(27-15)7-11(2)6-16-20(25)19(24)14(10-26-16)8-17-21(28-17)12(3)13(4)23/h7,9,12-14,16-17,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7-/t12-,13?,14-,16-,17?,19+,20-,21?/m0/s1
InChIKey LCJQPMHPUSBDQB-VJFVCHFCSA-N
Mol Weight 395.5 g/mol
Molecular Formula C21H33NO6
Exact Mass 395.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 689zzgnpLLa
Name 2H-Pyran-3,4-diol, 2-[3-(5-ethyl-2-oxazolyl)-2-methyl-2-propenyl]tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
Alternate Name(s) (2S,3R,4R,5S)-2-[(2Z)-3-(5-ethyl-1,3-oxazol-2-yl)-2-methylprop-2-en-1-yl]-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxane-3,4-diol (Z)-5-Ethyl-2-normonyloxazole 3-[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydropyran-2-yl]-2-methylprop-1(Z)-en-1-yl-2-(5-ethyloxazole)
CAS Registry Number 127912-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO6
InChI InChI=1S/C21H33NO6/c1-5-15-9-22-18(27-15)7-11(2)6-16-20(25)19(24)14(10-26-16)8-17-21(28-17)12(3)13(4)23/h7,9,12-14,16-17,19-21,23-25H,5-6,8,10H2,1-4H3/b11-7-/t12-,13?,14-,16-,17?,19+,20-,21?/m0/s1
InChIKey LCJQPMHPUSBDQB-VJFVCHFCSA-N
Molecular Weight 395.496 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C/c1ncc(o1)CC)C)[H])[H])(C)[H])C
SPLASH splash10-0udl-5900000000-ad2a1929121cf115d76f
Source of Spectrum KC-1989-2063-5
Wiley ID 1367036