[6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-二甲基庚基)-6a,7,8,9,10,10a-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[b,d]吡喃-8-氚代-9-甲醇 | 140835-18-3
[6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-二甲基庚基)-6a,7,8,9,10,10a-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[b,d]吡喃-8-氚代-9-甲醇
6H-Dibenzo[b,d]pyran-8-t-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-,[6aR-(6aa,8b,9a,10ab)]- (9CI)
140835-18-3
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:[6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-二甲基庚基)-6a,7,8,9,10,10a-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[b,d]吡喃-8-氚代-9-甲醇结构式
名称和标识符
InChIKey |
MVEVPDCVOXJVBD-FASICABJSA-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/i10T,17T/t10-,17+,19+,20+/m0 |
SMILES |
CCCCCCC(C1=CC(O)=C2[C@@H]3C[C@]([3H])(CO)[C@@H]([3H])C[C@H]3C(OC2=C1)(C)C)(C)C |
别名信息
- 中文别名 -
- [6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-二甲基庚基)-6a,7,8,9,10,10a-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[b,d]吡喃-8-氚代-9-甲醇
- [6AR-(6AALPHA,8BETA,9ALPHA,10ABETA)]-3-(1,1-二甲基庚基)-6A,7,8,9,10,10A-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[B,D]吡喃-8-氚代-9-甲醇
- 英文别名 -
- 6H-Dibenzo[b,d]pyran-8-t-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-,[6aR-(6aa,8b,9a,10ab)]- (9CI)
- (6aR,8S,9S,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
- 6H-Dibenzo[b,d]pyran-8-t-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hyd...
- 6H-Dibenzo[b,d]pyran-8-t-9-methanol,3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-,[6aR-(6aa,8b
- HU 243
- (3H)HU 243
- (6aR,8S,9S,10aR)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl(8,9-~3~H_2_)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol
- 3-Dimethylheptyl-11-hydroxyhexahydrocannabinol
- 6H-Dibenzo(b,d)pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-diemthyl-, (6aR-(6aalpha,8beta,9alpha,10abeta))-
- HU-243
- [6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-8-t-9-methanol
- (6Ar,8S,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-8,9-ditritio-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
- [6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-8-t-9-methanol
- 6H-Dibenzo[b,d]pyran-8-t-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-9-t-1-hydroxy-6,6-dimethyl-, [6aR-(6aalpha,8beta,9alpha,10abeta)]-
- HU-243 T-2
- 7GG4K7H7ZL
- BCP9000763
- 140835-18-3
- DTXSID701101448
- 6H-Dibenzo(B,D)pyran-8-T-9-methanol, 3-(1,1-dimethylheptyl)-6A,7,8,9,10,10A-hexahydro-9-T-1-hydroxy-6,6-diemthyl-, (6ar-(6aalpha,8beta,9alpha,10abeta))-
- SCHEMBL25432738
物化性质
实验特性
沸点 |
472.2°C at 760 mmHg |
闪点 |
239.4°C |
计算特性
精确分子量 |
392.314 |
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 |
392.314 |
重原子数量 |
28 |
复杂度 |
500 |
同位素原子数量 |
2 |
确定原子立构中心数量 |
4 |
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 |
49.7A^2 |
[6aR-(6aalpha,8beta,9alpha,10abeta)]-3-(1,1-二甲基庚基)-6a,7,8,9,10,10a-六氢-9-氚代-1-羟基-6,6-二甲基-6H-二苯并[b,d]吡喃-8-氚代-9-甲醇推荐生产厂家