1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7b,8aa,10aa)]- (9CI) | 14617-65-3
1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7b,8aa,10aa)]- (9CI)
14617-65-3
C15H10O2
222.238704204559
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7b,8aa,10aa)]- (9CI)结构式
名称和标识符
InChIKey |
KFDKNTQGTAEZGC-UHFFFAOYSA-N |
Inchi |
InChI=1S/C15H10O2/c16-15(17)14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9H,(H,16,17) |
SMILES |
C1(C(O)=O)C2=C(C3C(C=C2)=CC=CC=3)C=CC=1 |
别名信息
- 英文别名 -
- 1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7b,8aa,10aa)]- (9CI)
- 1-PHENANTHRENECARBOXYLICACID
- 1-Phenanthrenecarboxylicacid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,7b,8aa,10aa)]- (
- 14617-65-3
- Methyl (1R,4aR,4bS,7R,8aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
物化性质
计算特性
精确分子量 |
320.272 |
氢键供体数量 |
0 |
氢键受体数量 |
2 |
可旋转化学键数量 |
3 |
同位素质量 |
320.272 |
重原子数量 |
23 |
复杂度 |
457 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
6 |
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) |
6.9 |
拓扑分子极性表面积 |
26.3A^2 |