Chem
J-GLOBAL ID：200907000065157098   Nikkaji number：J904.318G

[(1E,3R,4S)-3-Methyl-4-hydroxy-1-hexenyl]2-O,3-O,4-O,6-O-tetrapivaloyl-β-D-glucopyranoside

[(1E,3R,4S)-3-メチル-4-ヒドロキシ-1-ヘキセニル]2-O,3-O,4-O,6-O-テトラピバロイル-β-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： C33H56O11
Molecular formula furigana： C33-H56-O11
Molecular weight： 628.800
InChI： InChI=1S/C33H56O11/c1-15-20(34)19(2)16-17-39-25-24(44-29(38)33(12,13)14)23(43-28(37)32(9,10)11)22(42-27(36)31(6,7)8)21(41-25)18-40-26(35)30(3,4)5/h16-17,19-25,34H,15,18H2,1-14H3/b17-16+/t19-,20+,21-,22-,23+,24-,25-/m1/s1
InChI key： PBEIYUINXKTTCI-REIQPCMGSA-N
SMILES： CC[C@H](O)[C@H](C)/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
Systematic name  (3)：
  • [(1E,3R,4S)-3-メチル-4-ヒドロキシ-1-ヘキセニル]2-O,3-O,4-O,6-O-テトラピバロイル-β-D-グルコピラノシド
  • [(2R,3R,4S,5R,6R)-3,4,5-トリス[(2,2-ジメチルプロパノイル)オキシ]-6-{[(1E,3R,4S)-4-ヒドロキシ-3-メチルヘキサ-1-エン-1-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,6R)-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]-6-{[(1E,3R,4S)-4-hydroxy-3-methylhex-1-en-1-yl]oxy}oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • [(1E,3R,4S)-3-Methyl-4-hydroxy-1-hexenyl]2-O,3-O,4-O,6-O-tetrapivaloyl-β-D-glucopyranoside
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