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2-Butenamide, 3-methyl-N-(2-oxobutyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
SpectraBase Compound ID H2q3m5Y5m4f
InChI InChI=1S/C21H35NO7/c1-5-15(24)9-22-18(25)7-11(2)6-16-20(27)19(26)14(10-28-16)8-17-21(29-17)12(3)13(4)23/h7,12-14,16-17,19-21,23,26-27H,5-6,8-10H2,1-4H3,(H,22,25)/b11-7+/t12-,13?,14-,16-,17?,19+,20-,21?/m0/s1
InChIKey BFVJHWJMVIEKGU-ITKVNGCNSA-N
Mol Weight 413.5 g/mol
Molecular Formula C21H35NO7
Exact Mass 413.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l8GABXnFo
Name 2-Butenamide, 3-methyl-N-(2-oxobutyl)-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 127862-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO7
InChI InChI=1S/C21H35NO7/c1-5-15(24)9-22-18(25)7-11(2)6-16-20(27)19(26)14(10-28-16)8-17-21(29-17)12(3)13(4)23/h7,12-14,16-17,19-21,23,26-27H,5-6,8-10H2,1-4H3,(H,22,25)/b11-7+/t12-,13?,14-,16-,17?,19+,20-,21?/m0/s1
InChIKey BFVJHWJMVIEKGU-ITKVNGCNSA-N
Molecular Weight 413.511 g/mol
SMILES OC([C@@](C1OC1C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(NCC(=O)CC)=O)C)[H])[H])(C)[H])C
SPLASH splash10-03xr-0900000000-213d69ade29fb6b65437
Source of Spectrum E1-39-450-3
Synonyms (2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methyl-N-(2-oxobutyl)but-2-enamide N-(2-Oxobutyl)monamide
Wiley ID 1598697