17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate · CAS 3751-02-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
- CAS
- 3751-02-8
- CID
- 107459
- IUPAC 名称
- [2-[(8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 17,21-Dihydroxy-5alpha-pregnane-3,11,20-trione 21-acetate
- CAS
- 3751-02-8
- CID
- 107459
- IUPAC 名称
- [2-[(8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
分子属性
- 分子式
- C23H32O6
- 分子量
- 404.5 g/mol
- 精确质量
- 404.21988874 Da
- 单同位素质量
- 404.21988874 Da
- XLogP
- 1.8
- 极性表面积
- 97.7 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 773
结构标识
- InChIKey
- AZCNJEFLSOQGST-BPSNTZLWSA-N
- SMILES
- CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4[C@@]3(CCC(=O)C4)C)C)O
- InChI
- InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3/t14?,16-,17-,20+,21-,22-,23-/m0/s1