methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate · CAS 1516887-31-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- CAS
- 1516887-31-2
- CID
- 72311790
- IUPAC 名称
- methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- CAS
- 1516887-31-2
- CID
- 72311790
- IUPAC 名称
- methyl 4-(6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
分子属性
- 分子式
- C27H42O4
- 分子量
- 430.6 g/mol
- 精确质量
- 430.30830982 Da
- 单同位素质量
- 430.30830982 Da
- XLogP
- 5.7
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 756
结构标识
- InChIKey
- SXDZXAFUWCERDJ-UHFFFAOYSA-N
- SMILES
- CC=C1C2CC(CCC2(C3CCC4(C(C3C1=O)CCC4C(C)CCC(=O)OC)C)C)O
- InChI
- InChI=1S/C27H42O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h6,16-17,19-22,24,28H,7-15H2,1-5H3