3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one · CAS 1049674-06-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- CAS
- 1049674-06-7
- CID
- 91668461
- IUPAC 名称
- 3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- CAS
- 1049674-06-7
- CID
- 91668461
- IUPAC 名称
- 3-[(3S,5R,8S,9R,10S,13R,14R,17R)-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
分子属性
- 分子式
- C23H34O5
- 分子量
- 390.5 g/mol
- 精确质量
- 390.24062418 Da
- 单同位素质量
- 390.24062418 Da
- XLogP
- 1.7
- 极性表面积
- 87 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 1
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 733
结构标识
- InChIKey
- DLJAGQZQTFSTKM-BGKNSHFJSA-N
- SMILES
- C[C@]12CC[C@@H](C[C@H]1CC[C@@]3([C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
- InChI
- InChI=1S/C23H34O5/c1-20-7-4-16(24)12-15(20)3-9-22(26)18(20)6-8-21(2)17(5-10-23(21,22)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18-,20+,21-,22+,23-/m1/s1