105593-21-3 (Gibberellin A72,Gibberellin A72)

CAS号:
105593-21-3
中文名称:
Gibberellin A72
英文名称:
Gibberellin A72
分子式:
C19H24O7
分子量:
364

Gibberellin A72(105593-21-3)名称与标识符

名称

中文别名:
赤霉素 A72;
英文别名:
Gibbane-1,10-dicarboxylicacid, 2,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,4bb,9b,10b)- (9CI);Gibberellin A72;ent-3α,10β,13,15α-tetrahydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone;4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene,gibbane-1,10-dicarboxylic acid deriv.;GA72;(1alpha,2beta,4aalpha,4bbeta,9beta,10beta)-2,4a,7,9-Tetrahydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid 1,4a-lactone;2β,4aα,7,9β-Tetrahydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone;SISDKGXXRJQNSE-CSCIYRSQSA-N;Gibbane-1,10-dicarboxylic acid, 2,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,9β,10β)- (9CI);CHEBI:142023;Gibbane-1,10-dicarboxylic acid, 2,4a,7,9-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,9beta,10beta)-;DTXSID501106880;(1S,2S,4aR,4bR,7S,9S,9aR,10S,10aR)-2,7,9-trihydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;ent-3alpha,10beta,13,15alpha-tetrahydroxy-20-norgibberell-16-ene-7,19-dioic acid 19,10-lactone;2beta,7alpha,9beta-trihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid;(1S,2S,4aR,4bR,7S,9S,9aR,10S,10aR)-2,7,9-trihydroxy-1-methyl-8-methylene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;(1R,2R,5S,7S,8R,9S,10R,11S,12S)-5,7,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid;

标识符

InChIKey:
SISDKGXXRJQNSE-VKRREQRESA-N
Inchi:
1S/C19H24O7/c1-8-13(21)18-7-17(8,25)5-3-9(18)19-6-4-10(20)16(2,15(24)26-19)12(19)11(18)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,16-,17+,18-,19-/m1/s1
SMILES:
O1C([C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]31[C@]2([H])[C@]([H])(C(=O)O[H])[C@]12[C@@]([H])(C(=C([H])[H])[C@](C([H])([H])C([H])([H])[C@]13[H])(C2([H])[H])O[H])O[H])O[H])=O

Gibberellin A72(105593-21-3)物化性质

实验特性

  • LogP : 0.22190
  • PSA : 124.29000
  • 沸点 : 674.8±55.0 °C at 760 mmHg
  • 熔点 : No data available
  • 蒸气压 : 0.0±4.7 mmHg at 25°C
  • 闪点 : 246.7±25.0 °C
  • 溶解度 : 略溶 (22 g/L) (25 ºC),
  • 颜色与性状 : No data available
  • 密度 : 1.54±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 364.15220310g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 1
  • 同位素质量 : 364.15220310g/mol
  • 重原子数量 : 26
  • 复杂度 : 763
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : -0.9
  • 拓扑分子极性表面积 : 124Ų

Gibberellin A72(105593-21-3)国际标准相关数据

EINECS:

Gibberellin A72(105593-21-3)参考资料

Reaxys RN:
PubChem CID: