(3S,10R,13S,14S,16R)-16-Bromo-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[A]phenanthren-17(2H)-one
(3S,10R,13S,14S,16R)-16-Bromo-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[A]phenanthren-17(2H)-one · CAS 158342-64-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,10R,13S,14S,16R)-16-Bromo-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[A]phenanthren-17(2H)-one
- CAS
- 158342-64-4
- CID
- 57370233
- IUPAC 名称
- (3S,10R,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,10R,13S,14S,16R)-16-Bromo-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[A]phenanthren-17(2H)-one
- CAS
- 158342-64-4
- CID
- 57370233
- IUPAC 名称
- (3S,10R,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
分子属性
- 分子式
- C19H27BrO2
- 分子量
- 367.3 g/mol
- 精确质量
- 366.11944 Da
- 单同位素质量
- 366.11944 Da
- XLogP
- 4.1
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子数
- 22
- 净电荷
- 0
- 结构复杂度
- 542
结构标识
- InChIKey
- WQCCGDRKRHLVJM-CCUOMXNSSA-N
- SMILES
- C[C@]12CCC3C([C@@H]1C[C@H](C2=O)Br)CC=C4[C@@]3(CC[C@@H](C4)O)C
- InChI
- InChI=1S/C19H27BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h3,12-16,21H,4-10H2,1-2H3/t12-,13?,14?,15-,16+,18-,19-/m0/s1