17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one · CAS 88191-14-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
- CAS
- 88191-14-4
- CID
- 14556179
- IUPAC 名称
- 17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
- CAS
- 88191-14-4
- CID
- 14556179
- IUPAC 名称
- 17-[(E)-5,6-dimethylhept-3-en-2-yl]-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
分子属性
- 分子式
- C28H44O4
- 分子量
- 444.6 g/mol
- 精确质量
- 444.32395988 Da
- 单同位素质量
- 444.32395988 Da
- XLogP
- 4.5
- 极性表面积
- 77.8 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子数
- 32
- 净电荷
- 0
- 结构复杂度
- 829
结构标识
- InChIKey
- GUERPVMWCQXYEU-BQYQJAHWSA-N
- SMILES
- CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3(C2=CC(=O)C4(C3(CCC(C4)O)C)O)O)C
- InChI
- InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,29,31-32H,9-14,16H2,1-6H3/b8-7+