19436-07-8 (赤霉素A12醛标准品,Gibbane-1-carboxylicacid, 10-formyl-1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)-)

CAS号:
19436-07-8
中文名称:
赤霉素A12醛标准品
英文名称:
Gibbane-1-carboxylicacid, 10-formyl-1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)-
分子式:
C20H28O3
分子量:
316.434526443481

赤霉素A12醛标准品(19436-07-8)名称与标识符

名称

中文别名:
赤霉素A12醛;赤霉素A12醛标准品;
英文别名:
Gibbane-1-carboxylicacid, 10-formyl-1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)-;gibberellin A12 aldehyde;(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid;(1alpha,4aalpha,4bbeta,7beta,10beta)-10-formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid;Gibbane-1-carboxylic acid, 10-formyl-1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-;Gibberellin-A-12-aldehyde;GA12ald;(1R,4aS,4bS,7R,9aR,10S,10aS)-10-formyl-1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1-carboxylic acid;19436-07-8;(2S,3S,4R,8S,9S)-2-Formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid;10-Formyl-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid;(1R,2S,4R,8S,9S,12R)-2-Formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid;(1R,2S,4R,8S,9S,12R)-2-ormyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid;CHEBI:181385;C06093;DTXSID00941166;Q27098143;(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid;10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid;(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid;(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid;(1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylene-gibbane-1-carboxylic acid;CHEBI:15610;Gibberellin A12 7-aldehyde;GA12-aldehyde;EX-A7057;(1R,2S,3S,4R,8S,9S,12R)-2-formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid 10beta-formyl-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid;LMPR0104170040;SCHEMBL5557371;

标识符

InChIKey:
ZCTUNYRXJKLWPY-DZRLGSOUSA-N
Inchi:
1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)/t13?,14-,15-,16-,18-,19+,20?/m0/s1
SMILES:
O=C[C@H]1[C@@H]2[C@@](C(=O)O)(C)CCC[C@@]2(C)[C@@H]2CCC3C(=C)CC21C3

赤霉素A12醛标准品(19436-07-8)物化性质

实验特性

  • 折射率 : 1.558
  • 沸点 : 454.7°Cat760mmHg
  • 闪点 : 242.9°C
  • 密度 : 1.16

计算特性

  • 精确分子量 : 316.204
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 316.204
  • 重原子数量 : 23
  • 复杂度 : 596
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 2
  • 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) : 3.8
  • 拓扑分子极性表面积 : 54.4Ų

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