2-Phenanthrenemethanol,4b,5,6,7,8,8a,9,10-octahydro-8-hydroxy-alpha,alpha,4b,8tetramethyl-,[4bS-(4balpha,8beta,8abeta)]-
2-Phenanthrenemethanol,4b,5,6,7,8,8a,9,10-octahydro-8-hydroxy-alpha,alpha,4b,8tetramethyl-,[4bS-(4balpha,8beta,8abeta)]- · CAS 203455-81-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Phenanthrenemethanol,4b,5,6,7,8,8a,9,10-octahydro-8-hydroxy-alpha,alpha,4b,8tetramethyl-,[4bS-(4balpha,8beta,8abeta)]-
- CAS
- 203455-81-6
- CID
- 10589466
- IUPAC 名称
- (1R,4aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-Phenanthrenemethanol,4b,5,6,7,8,8a,9,10-octahydro-8-hydroxy-alpha,alpha,4b,8tetramethyl-,[4bS-(4balpha,8beta,8abeta)]-
- CAS
- 203455-81-6
- CID
- 10589466
- IUPAC 名称
- (1R,4aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
分子属性
- 分子式
- C19H28O2
- 分子量
- 288.4 g/mol
- 精确质量
- 288.208930132 Da
- 单同位素质量
- 288.208930132 Da
- XLogP
- 3.5
- 极性表面积
- 40.5 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子数
- 21
- 净电荷
- 0
- 结构复杂度
- 404
结构标识
- InChIKey
- NYEXXEJYGVAGEE-VOBHOPKGSA-N
- SMILES
- C[C@]12CCC[C@@](C1CCC3=C2C=CC(=C3)C(C)(C)O)(C)O
- InChI
- InChI=1S/C19H28O2/c1-17(2,20)14-7-8-15-13(12-14)6-9-16-18(15,3)10-5-11-19(16,4)21/h7-8,12,16,20-21H,5-6,9-11H2,1-4H3/t16?,18-,19-/m1/s1