4-[4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid
4-[4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid · CAS 550298-38-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-[4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid
- CAS
- 550298-38-9
- CID
- 3501943
- IUPAC 名称
- 4-[4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4-[4-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid
- CAS
- 550298-38-9
- CID
- 3501943
- IUPAC 名称
- 4-[4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentoxy]-4-oxobutanoic acid
分子属性
- 分子式
- C28H44O7
- 分子量
- 492.6 g/mol
- 精确质量
- 492.30870374 Da
- 单同位素质量
- 492.30870374 Da
- XLogP
- 3.3
- 极性表面积
- 121 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 826
结构标识
- InChIKey
- HUZHTVOPEPKVLN-UHFFFAOYSA-N
- SMILES
- CC(CCCOC(=O)CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)O)O)C
- InChI
- InChI=1S/C28H44O7/c1-16(5-4-12-35-25(34)9-8-24(32)33)19-6-7-20-26-21(15-23(31)28(19,20)3)27(2)11-10-18(29)13-17(27)14-22(26)30/h16-17,19-23,26,30-31H,4-15H2,1-3H3,(H,32,33)