Chem
J-GLOBAL ID：200907068478074062   Nikkaji number：J671.943K

KRN-7000

KRN-7000
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C50H99NO9
Molecular formula furigana： C50-H99-N-O9
Molecular weight： 858.340
InChI： InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
InChI key： VQFKFAKEUMHBLV-BYSUZVQFSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
Systematic name  (12)：
  • N-[(1S,2S,3R)-1-[(α-D-ガラクトピラノシル)オキシメチル]-2,3-ジヒドロキシヘプタデシル]ヘキサコサンアミド
  • (2S,3S,4R)-1-(α-D-ガラクトピラノシルオキシ)-2-(ヘキサコサノイルアミノ)-3,4-オクタデカンジオール
  • N-[(1S,2S,3R)-1-[(α-D-ガラクトピラノシルオキシ)メチル]-2,3-ジヒドロキシヘプタデシル]ヘキサコサンアミド
  • N-[(1S,2S,3R)-1-(α-D-ガラクトピラノシルオキシメチル)-2,3-ジヒドロキシヘプタデシル]ヘキサコサンアミド
  • [(2S,3S,4R)-2-(1-オキソヘキサコシルアミノ)-3,4-ジヒドロキシオクタデシル]α-D-ガラクトピラノシド
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Other name (14)：
  • KRN-7000
  • N-[(1S,2S,3R)-1-[(α-D-Galactopyranosyl)oxymethyl]-2,3-dihydroxyheptadecyl]hexacosanamide
  • (2S,3S,4R)-1-(α-D-Galactopyranosyloxy)-2-(hexacosanoylamino)-3,4-octadecanediol
  • N-[(1S,2S,3R)-1-[(α-D-Galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl]hexacosanamide
  • N-[(1S,2S,3R)-1-(α-D-Galactopyranosyloxymethyl)-2,3-dihydroxyheptadecyl]hexacosanamide
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CAS registry number： 158021-47-7
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