Chem
J-GLOBAL ID：200907095084318338   Nikkaji number：J973.152K

[(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-1aβ-(acetoxymethyl)-6α-[[(Z)-3-(4-acetoxyphenyl)propenoyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranoside

[(1aS)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-1aβ-(アセトキシメチル)-6α-[[(Z)-3-(4-アセトキシフェニル)プロペノイル]オキシ]オキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]2-O,3-O,4-O,6-O-テトラアセチル-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： C36H40O18
Molecular formula furigana： C36-H40-O18
Molecular weight： 760.698
InChI： InChI=1S/C36H40O18/c1-17(37)45-15-26-30(48-20(4)40)31(49-21(5)41)32(50-22(6)42)35(51-26)53-34-28-25(13-14-44-34)29(33-36(28,54-33)16-46-18(2)38)52-27(43)12-9-23-7-10-24(11-8-23)47-19(3)39/h7-14,25-26,28-35H,15-16H2,1-6H3/b12-9-/t25-,26-,28-,29+,30-,31+,32-,33+,34+,35+,36-/m1/s1
InChI key： QLYJOKGAZNNVFA-GUBOOGIZSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)/C=C\c4ccc(OC(=O)C)cc4)[C@@H]4O[C@]4(COC(=O)C)[C@@H]23)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-1aβ-(アセトキシメチル)-6α-[[(Z)-3-(4-アセトキシフェニル)プロペノイル]オキシ]オキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシド
  • (1S,2S,4S,5S,6R,10S)-2-[(アセチルオキシ)メチル]-10-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル]オキシ}-3,9-ジオキサトリシクロ[4.4.0.02,4]デカ-7-エン-5-イル (2Z)-3-[4-(アセチルオキシ)フェニル]プロパ-2-エノアート
  • (1S,2S,4S,5S,6R,10S)-2-[(acetyloxy)methyl]-10-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl (2Z)-3-[4-(acetyloxy)phenyl]prop-2-enoate
Other name (1)：
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-1aβ-(acetoxymethyl)-6α-[[(Z)-3-(4-acetoxyphenyl)propenoyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranoside
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