Chem
J-GLOBAL ID：200907000028360070   Nikkaji number：J671.105G

[[(3R,5aα,8aα,12aS)-Decahydro-10β-ethoxy-3,6α,9β-trimethyl-3,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-5α-yl]2-O,3-O,4-O-triacetyl-6-O-methyl-β-D-glucuronide

[[(3R,5aα,8aα,12aS)-デカヒドロ-10β-エトキシ-3,6α,9β-トリメチル-3,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-5α-イル]2-O,3-O,4-O-トリアセチル-6-O-メチル-β-D-グルクロニド
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： C30H44O15
Molecular formula furigana： C30-H44-O15
Molecular weight： 644.667
InChI： InChI=1S/C30H44O15/c1-9-36-26-14(3)18-11-10-13(2)20-19(12-29(7)43-28(42-26)30(18,20)45-44-29)40-27-24(39-17(6)33)22(38-16(5)32)21(37-15(4)31)23(41-27)25(34)35-8/h13-14,18-24,26-28H,9-12H2,1-8H3/t13-,14-,18+,19+,20-,21+,22+,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChI key： WVFPVPPNVDRCDQ-IANCKKEASA-N
SMILES： CCO[C@H]1O[C@@H]2O[C@@]3(C)C[C@H](O[C@@H]4O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)C(=O)OC)[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Systematic name  (3)：
  • [[(3R,5aα,8aα,12aS)-デカヒドロ-10β-エトキシ-3,6α,9β-トリメチル-3,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン]-5α-イル]2-O,3-O,4-O-トリアセチル-6-O-メチル-β-D-グルクロニド
  • メチル (2S,3S,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-エトキシ-1,5,9-トリメチル-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン-3-イル]オキシ}オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy}oxane-2-carboxylate
Other name (1)：
  • [[(3R,5aα,8aα,12aS)-Decahydro-10β-ethoxy-3,6α,9β-trimethyl-3,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-5α-yl]2-O,3-O,4-O-triacetyl-6-O-methyl-β-D-glucuronide
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