Chem
J-GLOBAL ID：200907002472212950   Nikkaji number：J2.405.563I

8-Acetoxy-14-(benzoyloxy)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,15-triol

8-アセトキシ-14-(ベンゾイルオキシ)-20-エチル-1,6,16-トリメトキシ-4-(メトキシメチル)アコニタン-3,13,15-トリオール
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： C34H47NO11
Molecular formula furigana： C34-H47-N-O11
Molecular weight： 645.746
InChI： InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20?,21?,22-,23+,24?,25-,26-,27?,28?,29?,31+,32?,33+,34-/m1/s1
InChI key： XFSBVAOIAHNAPC-PJFPKGFYSA-N
SMILES： CCN1C[C@@]2(COC)[C@H]3C(OC)[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@]3(O)C(OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(=O)C)C(O)C3OC)C(CC2O)OC
Systematic name  (3)：
  • 8-アセトキシ-14-(ベンゾイルオキシ)-20-エチル-1,6,16-トリメトキシ-4-(メトキシメチル)アコニタン-3,13,15-トリオール
  • (1S,2R,3R,5R,8R,9R,10R,13R,17S)-8-(アセチルオキシ)-11-エチル-5,7,14-トリヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4-イル ベンゾアート
  • (1S,2R,3R,5R,8R,9R,10R,13R,17S)-8-(acetyloxy)-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl benzoate
Other name (1)：
  • 8-Acetoxy-14-(benzoyloxy)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,15-triol
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