Chem
J-GLOBAL ID:200907000116283956   Nikkaji number:J2.579.123A

(2S,6S)-1-(2-O,3-O,4-O,6-O-Tetrapivaloyl-β-D-galactopyranosyl)-2β-[4-(1-ethoxyethoxy)butyl]-6β-(3,4-dimethoxyphenyl)piperidine-4-one

(2S,6S)-1-(2-O,3-O,4-O,6-O-テトラピバロイル-β-D-ガラクトピラノシル)-2β-[4-(1-エトキシエトキシ)ブチル]-6β-(3,4-ジメトキシフェニル)ピペリジン-4-オン
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: C47H75NO14
Molecular formula furigana: C47-H75-N-O14
Molecular weight: 878.110
InChI: InChI=1S/C47H75NO14/c1-17-56-28(2)57-23-19-18-20-30-25-31(49)26-32(29-21-22-33(54-15)34(24-29)55-16)48(30)39-38(62-43(53)47(12,13)14)37(61-42(52)46(9,10)11)36(60-41(51)45(6,7)8)35(59-39)27-58-40(50)44(3,4)5/h21-22,24,28,30,32,35-39H,17-20,23,25-27H2,1-16H3/t28?,30-,32-,35+,36-,37-,38+,39+/m0/s1
InChI key: PRQVOLVVLQWOPG-VROFDKQMSA-N
SMILES: CCOC(C)OCCCC[C@H]1CC(=O)C[C@H](N1[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)c1ccc(OC)c(OC)c1
Systematic name  (3):
  • (2S,6S)-1-(2-O,3-O,4-O,6-O-テトラピバロイル-β-D-ガラクトピラノシル)-2β-[4-(1-エトキシエトキシ)ブチル]-6β-(3,4-ジメトキシフェニル)ピペリジン-4-オン
  • [(2R,3S,4S,5R,6R)-6-[(2S,6S)-2-(3,4-ジメトキシフェニル)-6-[4-(1-エトキシエトキシ)ブチル]-4-オキソピペリジン-1-イル]-3,4,5-トリス[(2,2-ジメチルプロパノイル)オキシ]オキサン-2-イル]メチル 2,2-ジメチルプロパノアート
  • [(2R,3S,4S,5R,6R)-6-[(2S,6S)-2-(3,4-dimethoxyphenyl)-6-[4-(1-ethoxyethoxy)butyl]-4-oxopiperidin-1-yl]-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1):
  • (2S,6S)-1-(2-O,3-O,4-O,6-O-Tetrapivaloyl-β-D-galactopyranosyl)-2β-[4-(1-ethoxyethoxy)butyl]-6β-(3,4-dimethoxyphenyl)piperidine-4-one
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