6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-,(6aR,9R,10aR)- | 140835-14-9
6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-,(6aR,9R,10aR)-
140835-14-9
C25H40O3
388.5833
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-,(6aR,9R,10aR)-结构式
名称和标识符
InChIKey |
MVEVPDCVOXJVBD-MISYRCLQSA-N |
Inchi |
InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1 |
SMILES |
CCCCCCC(C1=CC(O)=C2[C@@H]3C[C@H](CO)CC[C@H]3C(OC2=C1)(C)C)(C)C |
别名信息
- 英文别名 -
- 6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-,(6aR,9R,10aR)-
- (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
- 6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6...
- HU 243
- (-)-11-hydroxy-3-(1',1'-dimethylheptyl)hexahydrocannabinol
- [3H]-HU 243
- HDHHC
- AM 4056
- 11-hydroxy-3-(1',1'-dimethylheptyl)hexahydrocannabinol
- (6aR,9R,10aR)-3-(1,1-DiMethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-Methanol
- [6aR-(6aα,9α,10aβ)]-3-(1,1-DiMethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-diMethyl-6H-dibenzo[b,d]pyran-9-Methanol
- 6H-Dibenzo(B,D)pyran-9-methanol, 3-(1,1-dimethylheptyl)-6A,7,8,9,10,10A-hexahydro-1-hydroxy-6,6-dimethyl-, (6ar-(6aalpha,9alpha,10abeta))-
- 6H-Dibenzo(b,d)pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-, (6aR-(6aalpha,9alpha,10abeta))-
- HU243
- DTXSID30161476
- SKGOA1RZCT
- BDBM50066712
- UNII-SKGOA1RZCT
- DTXCID0083967
- HU-243
- SCHEMBL4938816
- AM-4056
- 11-Hydroxy-3-(1',1'-dimethylheptyl)hexahydrocannabinol
- (6aR,9R,10aR)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol
- 140835-14-9
- 6H-DIBENZO(B,D)PYRAN-9-METHANOL, 3-(1,1-DIMETHYLHEPTYL)-6A,7,8,9,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-, (6AR,9R,10AR)-
- 6H-DIBENZO(B,D)PYRAN-9-METHANOL, 3-(1,1-DIMETHYLHEPTYL)-6A,7,8,9,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-, (6AR-(6A.ALPHA.,9.ALPHA.,10A.BETA.))-
- (6AR,9R,10AR)-3-(1,1-DIMETHYLHEPTYL)-6A,7,8,9,10,10A-HEXAHYDRO-1-HYDROXY-6,6-DIMETHYL-6H-DIBENZO(B,D)PYRAN-9-METHANOL
- CHEMBL85071
- Hdhhc
物化性质
实验特性
LogP |
6.30340 |
PSA |
49.69000 |
计算特性
精确分子量 |
388.29800 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
7 |
同位素质量 |
392.314194 |
重原子数量 |
28 |
复杂度 |
500 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
7 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
49.7 |
6H-Dibenzo[b,d]pyran-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-,(6aR,9R,10aR)-推荐生产厂家