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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)-结构式图片|140835-14-9结构式图片
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
5311171
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
- 中文别名 -
- 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
专业数据库参考
PubChemId 5311171
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
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