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4-Oxazolecarboxylic acid, 2-[2-methyl-3-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-1-propenyl]-, ethyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID 8xKzqNjlAVa
InChI InChI=1S/C22H33NO8/c1-5-28-22(27)15-10-30-18(23-15)7-11(2)6-16-20(26)19(25)14(9-29-16)8-17-21(31-17)12(3)13(4)24/h7,10,12-14,16-17,19-21,24-26H,5-6,8-9H2,1-4H3/b11-7+/t12-,13?,14+,16+,17?,19-,20+,21?/m0/s1
InChIKey IYYCAYNSFHUAEI-QJBYIHMJSA-N
Mol Weight 439.5 g/mol
Molecular Formula C22H33NO8
Exact Mass 439.220617 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVHOkA147fc
Name 4-Oxazolecarboxylic acid, 2-[2-methyl-3-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-1-propenyl]-, ethyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
Alternate Name(s) 4-Ethoxycarbonyl-2-normonyloxazole Ethyl 2-[(1E)-2-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]methyl}prop-1-en-1-yl]-1,3-oxazole-4-carboxylate
CAS Registry Number 127862-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO8
InChI InChI=1S/C22H33NO8/c1-5-28-22(27)15-10-30-18(23-15)7-11(2)6-16-20(26)19(25)14(9-29-16)8-17-21(31-17)12(3)13(4)24/h7,10,12-14,16-17,19-21,24-26H,5-6,8-9H2,1-4H3/b11-7+/t12-,13?,14+,16+,17?,19-,20+,21?/m0/s1
InChIKey IYYCAYNSFHUAEI-QJBYIHMJSA-N
Molecular Weight 439.505 g/mol
SMILES OC([C@@](C1OC1C[C@@]1(CO[C@@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\c1nc(C(=O)OCC)co1)C)[H])[H])(C)[H])C
SPLASH splash10-0002-5900000000-49ffc6afc46a9d9a7a80
Source of Spectrum KC-1989-2054-2
Wiley ID 1384405