427-77-0 (赤霉素A9标准品,GIBBERELLIN A9)

CAS号:
427-77-0
中文名称:
赤霉素A9标准品
英文名称:
GIBBERELLIN A9
分子式:
C19H24O4
分子量:
316.391466140747

赤霉素A9标准品(427-77-0)名称与标识符

名称

中文别名:
赤霉素A9标准品;3-氟苯丙氨酸;赤霉素 A9;
英文别名:
GIBBERELLIN A9;4a,1-(epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, dodecahydro-1-methyl-8-methylene-13-oxo-, (1R,4aR,4bR,7R,9aR,10S,10aR)-;(1R,4aR,4bR,7R,9aR,10S,10aR)-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;1H-7,9A-METHANOBENZ(A)AZULENE-1,10-DICARBOXYLIC ACID, DODECAHYDRO-4A-HYDROXY-1-METHYL-8-METHYLENE-, 1,4A-LACTONE;Q27110172;Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4aalpha,4bbeta,10beta)-;Gibbane-1,10-dicarboxylic acid, 4a-hydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,4a.alpha.,4b.beta.,10.beta.)-;UNII-SWC5WIK98K;4A.ALPHA.,4B.BETA.-GIBBANE-1.ALPHA.,10.BETA.-DICARBOXYLIC ACID, 4A-HYDROXY-1-METHYL-8-METHYLENE-, 1,4A-LACTONE;CHEBI:29605;1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid;(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid;GA9;SCHEMBL3370009;427-77-0;SWC5WIK98K;(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-carboxylic acid;LMPR0104170020;DTXSID40962633;1-Methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;Dodecahydro-4a-hydroxy-1-methyl-8-methylene-1H-7,9a-methanobenz[a]azulene-1,10-dicarboxylic Acid 1,4a-Lactone; 4a-Hydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic Acid 1,4a-Lactone; Gibberellin A9; 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibbane-1,10-dicarboxylic Acid Deriv.; GA9;4AALPHA,4BBETA-GIBBANE-1ALPHA,10BETA-DICARBOXYLIC ACID, 4A-HYDROXY-1-METHYL-8-METHYLENE-, 1,4A-LACTONE;C19 skeleton;C19-GAs;(1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.1(5,8).0(1,10).0(2,8))heptadecane-9-carboxylic acid;closed lactone gibberellin skeleton;(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-carboxylic acid;C19-GA skeleton;

标识符

InChIKey:
MHVYWTXXZIFXDT-YGNOGLJPSA-N
Inchi:
1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
SMILES:
O1C([C@]2(C)CCC[C@]31[C@@H]2[C@H](C(=O)O)[C@]12CC(=C)[C@H](CC[C@H]13)C2)=O

赤霉素A9标准品(427-77-0)物化性质

实验特性

  • 折射率 : 1.595
  • 沸点 : 525.935°C at 760 mmHg
  • 蒸气压 : 0.0±3.0 mmHg at 25°C
  • 闪点 : 192.293°C
  • 密度 : 1.299

计算特性

  • 精确分子量 : 316.167
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 316.167
  • 重原子数量 : 23
  • 复杂度 : 654
  • 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) : 2.7
  • 拓扑分子极性表面积 : 63.6A^2

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赤霉素A9标准品(427-77-0)参考资料

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