2112-08-5 (赤霉素A9甲酯标准品,Gibberellin A9 Methyl Ester)

CAS号:
2112-08-5
中文名称:
赤霉素A9甲酯标准品
英文名称:
Gibberellin A9 Methyl Ester
分子式:
C20H26O4
分子量:
330.418046474457

赤霉素A9甲酯标准品(2112-08-5)名称与标识符

名称

中文别名:
赤霉素A9甲酯标准品;
英文别名:
Gibbane-1,10-dicarboxylicacid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1a,4aa,4bb,10b)-;Gibberellin A9 methyl ester;4aα,4bβ-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester;GA9 Me;GA9, methyl ester;-Gibbane-1α,10βGibberelline GA9, methyl ester;methyl (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate;methyl (1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate;O-methyl gibberellin A9;CHEBI:73256;MeGA9;GA9 methyl ester;methyl 1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylate;methyl (1R, 2R, 5R, 8R, 9S, 10R, 11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15, 8.01, 10.02, 8]heptadecane-9-carboxylate;Methyl (4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate;Q27140405;DTXSID30555159;2112-08-5;methyl gibberellin A9;methyl GA9;4a.alpha.,4b.beta.-Gibbane-1.alpha.,10.beta.-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, methyl ester;GKRMJALKMNRHGF-UHFFFAOYSA-N;Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1.alpha.,4a.alpha.,4b.beta.,10.beta.)-;GA9 Methyl Ester; 1,4a-Lactone-4a-hydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic Acid Methyl Ester;;Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1alpha,4aalpha,4bbeta,10beta)-;Methyl 1I2-methyl-8-methylidene-13-oxo-4a,1I+--epoxymethano-4aalpha,4bbeta-gibbane-10I2-carboxylate;methyl (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadecane-9-carboxylate;Methyl 1I2-methyl-8-methylidene-13-oxo-4a,1I+--epoxymethano-4aalpha,4bbeta-gibbane-10I2-carboxylic acid;methyl (1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo(a)azulene-10-carboxylate;Methyl 1b-methyl-8-methylidene-13-oxo-4a,1a-epoxymethano-4aalpha,4bbeta-gibbane-10b-carboxylic acid;Methyl 1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid;Methyl 1b-methyl-8-methylidene-13-oxo-4a,1a-epoxymethano-4aalpha,4bbeta-gibbane-10b-carboxylate;carboxymethyl GA9;

标识符

InChIKey:
GKRMJALKMNRHGF-WARWBDHMSA-N
Inchi:
1S/C20H26O4/c1-11-9-19-10-12(11)5-6-13(19)20-8-4-7-18(2,17(22)24-20)15(20)14(19)16(21)23-3/h12-15H,1,4-10H2,2-3H3/t12-,13-,14-,15-,18-,19+,20-/m1/s1
SMILES:
O1C([C@]2(C)CCC[C@]31[C@@H]2[C@H](C(=O)OC)[C@]12CC(=C)[C@H](CC[C@H]13)C2)=O

赤霉素A9甲酯标准品(2112-08-5)物化性质

实验特性

  • PSA : 52.6
  • 沸点 : 472.9±45.0 °C at 760 mmHg
  • 蒸气压 : 0.0±1.2 mmHg at 25°C
  • 闪点 : 238.2±27.1 °C
  • 密度 : 1.2±0.1 g/cm3

计算特性

  • 精确分子量 : 330.18318
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 330.18310931g/mol
  • 重原子数量 : 24
  • 复杂度 : 669
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3
  • 拓扑分子极性表面积 : 52.6Ų

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赤霉素A9甲酯标准品(2112-08-5)参考资料

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