Chem
J-GLOBAL ID：200907056715921737   Nikkaji number：J904.325J

[(1E,3S,4S)-3-Methyl-4-hydroxy-4-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-1-butenyl]2-O,3-O,4-O,6-O-tetrapivaloyl-α-D-glucopyranoside

[(1E,3S,4S)-3-メチル-4-ヒドロキシ-4-[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]-1-ブテニル]2-O,3-O,4-O,6-O-テトラピバロイル-α-D-グルコピラノシド
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： C40H64O11
Molecular formula furigana： C40-H64-O11
Molecular weight： 720.941
InChI： InChI=1S/C40H64O11/c1-22(27(41)24-17-16-23-20-25(24)40(23,14)15)18-19-46-31-30(51-35(45)39(11,12)13)29(50-34(44)38(8,9)10)28(49-33(43)37(5,6)7)26(48-31)21-47-32(42)36(2,3)4/h17-19,22-23,25-31,41H,16,20-21H2,1-15H3/b19-18+/t22-,23-,25-,26+,27-,28+,29-,30+,31-/m0/s1
InChI key： ZKQUSHOWMDZQHE-IXDOMSBWSA-N
SMILES： C[C@@H](/C=C/O[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)[C@H](O)C1=CC[C@H]2C[C@@H]1C2(C)C
Systematic name  (3)：
  • [(1E,3S,4S)-3-メチル-4-ヒドロキシ-4-[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]-1-ブテニル]2-O,3-O,4-O,6-O-テトラピバロイル-α-D-グルコピラノシド
  • [(2R,3R,4S,5R,6S)-6-{[(1E,3S,4S)-4-[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]-4-ヒドロキシ-3-メチルブタ-1-エン-1-イル]オキシ}-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,3R,4S,5R,6S)-6-{[(1E,3S,4S)-4-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-4-hydroxy-3-methylbut-1-en-1-yl]oxy}-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • [(1E,3S,4S)-3-Methyl-4-hydroxy-4-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]-1-butenyl]2-O,3-O,4-O,6-O-tetrapivaloyl-α-D-glucopyranoside
Thsaurus map：
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