[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate · CAS 196091-78-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate
- CAS
- 196091-78-8
- CID
- 3333866
- IUPAC 名称
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate
- CAS
- 196091-78-8
- CID
- 3333866
- IUPAC 名称
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-oxochromene-3-carboxylate
分子属性
- 分子式
- C37H50O4
- 分子量
- 558.8 g/mol
- 精确质量
- 558.37091007 Da
- 单同位素质量
- 558.37091007 Da
- XLogP
- 11
- 极性表面积
- 52.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 8
- 重原子数
- 41
- 净电荷
- 0
- 结构复杂度
- 1070
结构标识
- InChIKey
- MDZIAODARIKFKN-UHFFFAOYSA-N
- SMILES
- CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC6=CC=CC=C6OC5=O)C)C
- InChI
- InChI=1S/C37H50O4/c1-23(2)9-8-10-24(3)30-15-16-31-28-14-13-26-22-27(17-19-36(26,4)32(28)18-20-37(30,31)5)40-34(38)29-21-25-11-6-7-12-33(25)41-35(29)39/h6-7,11-13,21,23-24,27-28,30-32H,8-10,14-20,22H2,1-5H3