(2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzoafluoren-9-yl 2,6-diaminohexanoate | 1000010-11-6
(2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzoafluoren-9-yl 2,6-diaminohexanoate
1000010-11-6
C28H44N2O2
440.6612
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:(2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzoafluoren-9-yl 2,6-diaminohexanoate结构式
(2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzoafluoren-9-yl 2,6-diaminohexanoate价格
名称和标识符
InChIKey |
FETXNEPHJSHBDW-KUCDIBCTSA-N |
Inchi |
1S/C28H44N2O2/c1-18-15-20(32-25(31)21(30)9-6-7-14-29)16-19-17-23-27(4)12-8-11-26(2,3)22(27)10-13-28(23,5)24(18)19/h15-16,21-23H,6-14,17,29-30H2,1-5H3/t21-,22?,23+,27-,28+/m0/s1 |
SMILES |
O(C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])N([H])[H])=O)C1C([H])=C(C([H])([H])[H])C2=C(C=1[H])C([H])([H])[C@@]1([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H] |
别名信息
- 英文别名 -
- (2S)-(6aR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-9-yl 2,6-diaminohexanoate
- (2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a, 11,11a,11b-decahydro-1H-benzo[a]fluoren-9-yl 2,6-diamino...
- (2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]
- (2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a, 11,11a,11b-decahydro-1H-benzo[a]fl
物化性质
计算特性
精确分子量 |
440.34027865 g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
7 |
同位素质量 |
440.34027865 g/mol |
重原子数量 |
32 |
复杂度 |
693 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
不确定原子立构中心数量 |
1 |
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) |
6.5 |
拓扑分子极性表面积 |
78.3 |
分子量 |
440.7 |
(2S)-(6AR,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzoafluoren-9-yl 2,6-diaminohexanoate推荐生产厂家