1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol · CAS 84985-78-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
- CAS
- 84985-78-4
- CID
- 592931
- IUPAC 名称
- 1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
- CAS
- 84985-78-4
- CID
- 592931
- IUPAC 名称
- 1-(5,6-dimethylhept-3-en-2-yl)-4-[1-hydroxy-2-(5-hydroxy-2-methylidenecyclohexylidene)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ol
分子属性
- 分子式
- C28H46O3
- 分子量
- 430.7 g/mol
- 精确质量
- 430.34469533 Da
- 单同位素质量
- 430.34469533 Da
- XLogP
- 5.4
- 极性表面积
- 60.7 Ų
- 氢键供体
- 3
- 氢键受体
- 3
- 可旋转键
- 6
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 707
结构标识
- InChIKey
- KXILCRGOVVVVRF-UHFFFAOYSA-N
- SMILES
- CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2(C(C=C3CC(CCC3=C)O)O)O)C
- InChI
- InChI=1S/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3