(3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
(3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol · CAS 7253-95-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- CAS
- 7253-95-4
- CID
- 248414
- IUPAC 名称
- (3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- CAS
- 7253-95-4
- CID
- 248414
- IUPAC 名称
- (3S,5S,8R,9R,10S,13S,14S,17S)-17-ethyl-13-methyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
分子属性
- 分子式
- C20H34O2
- 分子量
- 306.5 g/mol
- 精确质量
- 306.255880323 Da
- 单同位素质量
- 306.255880323 Da
- XLogP
- 4.5
- 极性表面积
- 40.5 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子数
- 22
- 净电荷
- 0
- 结构复杂度
- 435
结构标识
- InChIKey
- GUBNWXDDDXQJOQ-WSIJOFGPSA-N
- SMILES
- CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CC[C@@H](C4)O)C)O
- InChI
- InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-/m0/s1