6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one · CAS 548-97-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- CAS
- 548-97-0
- CID
- 222806
- IUPAC 名称
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- CAS
- 548-97-0
- CID
- 222806
- IUPAC 名称
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
分子属性
- 分子式
- C21H30O5
- 分子量
- 362.5 g/mol
- 精确质量
- 362.20932405 Da
- 单同位素质量
- 362.20932405 Da
- XLogP
- 1.2
- 极性表面积
- 94.8 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 684
结构标识
- InChIKey
- RVOXVZIZUGYSPL-UHFFFAOYSA-N
- SMILES
- CC12CCC(=O)C=C1C(CC3C2CCC4(C3CCC4(C(=O)CO)O)C)O
- InChI
- InChI=1S/C21H30O5/c1-19-6-3-12(23)9-16(19)17(24)10-13-14(19)4-7-20(2)15(13)5-8-21(20,26)18(25)11-22/h9,13-15,17,22,24,26H,3-8,10-11H2,1-2H3