2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one · CAS 698975-64-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
- CAS
- 698975-64-3
- CID
- 271605
- IUPAC 名称
- 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
- CAS
- 698975-64-3
- CID
- 271605
- IUPAC 名称
- 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
分子属性
- 分子式
- C27H44O7
- 分子量
- 480.6 g/mol
- 精确质量
- 480.30870374 Da
- 单同位素质量
- 480.30870374 Da
- XLogP
- 0.5
- 极性表面积
- 138 Ų
- 氢键供体
- 6
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 869
结构标识
- InChIKey
- NKDFYOWSKOHCCO-UHFFFAOYSA-N
- SMILES
- CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
- InChI
- InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3