[12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
[12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate · CAS 53608-88-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- CAS
- 53608-88-1
- CID
- 256284
- IUPAC 名称
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- CAS
- 53608-88-1
- CID
- 256284
- IUPAC 名称
- [12-acetyloxy-17-(5,5-diphenylpent-4-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
分子属性
- 分子式
- C40H52O4
- 分子量
- 596.8 g/mol
- 精确质量
- 596.38656014 Da
- 单同位素质量
- 596.38656014 Da
- XLogP
- 10.7
- 极性表面积
- 52.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 9
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1030
结构标识
- InChIKey
- PXGXVJQZVLXWGR-UHFFFAOYSA-N
- SMILES
- CC(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCC4C3(C(CC5C4CCC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)C
- InChI
- InChI=1S/C40H52O4/c1-26(16-18-33(29-12-8-6-9-13-29)30-14-10-7-11-15-30)35-20-21-36-34-19-17-31-24-32(43-27(2)41)22-23-39(31,4)37(34)25-38(40(35,36)5)44-28(3)42/h6-15,18,26,31-32,34-38H,16-17,19-25H2,1-5H3