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赤霉素A12醛标准品 | 19436-07-8

赤霉素A12醛标准品结构式图片|19436-07-8结构式图片
赤霉素A12醛标准品
Gibbane-1-carboxylicacid, 10-formyl-1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)-
19436-07-8
C20H28O3
316.43452
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:赤霉素A12醛标准品结构式
193542
名称和标识符
InChIKey ZCTUNYRXJKLWPY-VUIZYOALSA-N
Inchi 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@]23CC(=C)[C@@H](CC[C@H]2[C@]2(C)CCC[C@](C(=O)O)(C)C12)C3
别名信息
- 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-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
  • (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
  • CHEBI:181385
  • C06093
  • C06093
  • DTXSID00941166
  • DTXSID00941166
  • Q27098143
  • 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
  • (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
  • 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
  • (1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylenegibbane-1-carboxylic acid
  • Gibberellin A12 aldehyde
  • Gibberellin A12 aldehyde
  • (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
  • (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
  • (1alpha,4aalpha,4bbeta,10beta)-10-formyl-1,4a-dimethyl-8-methylene-gibbane-1-carboxylic acid
  • CHEBI:15610
  • CHEBI:15610
  • Gibberellin A12 7-aldehyde
  • Gibberellin A12 7-aldehyde
  • GA12-aldehyde
  • GA12-aldehyde
  • EX-A7057
  • 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
  • (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
  • LMPR0104170040
  • SCHEMBL5557371
  • SCHEMBL5557371
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
相关文献
专业数据库参考
PubChemId 193542
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