(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol · CAS 55700-58-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
- CAS
- 55700-58-8
- CID
- 1590
- IUPAC 名称
- 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
- CAS
- 55700-58-8
- CID
- 1590
- IUPAC 名称
- 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
分子属性
- 分子式
- C27H44O3
- 分子量
- 416.6 g/mol
- 精确质量
- 416.32904526 Da
- 单同位素质量
- 416.32904526 Da
- XLogP
- 5
- 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
- 30
- 净电荷
- 0
- 结构复杂度
- 688
结构标识
- InChIKey
- FCKJYANJHNLEEP-UHFFFAOYSA-N
- SMILES
- CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
- InChI
- InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3