4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione · CAS 114567-45-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
- CAS
- 114567-45-2
- CID
- 5317513
- IUPAC 名称
- 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
- CAS
- 114567-45-2
- CID
- 5317513
- IUPAC 名称
- 4,4,10,13,14-pentamethyl-17-[(5R,6R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
分子属性
- 分子式
- C30H48O5
- 分子量
- 488.7 g/mol
- 精确质量
- 488.35017463 Da
- 单同位素质量
- 488.35017463 Da
- XLogP
- 4.1
- 极性表面积
- 94.8 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 935
结构标识
- InChIKey
- NAETYGPWGSNZTO-HJVFTPNHSA-N
- SMILES
- CC(CC[C@H]([C@@](C)(CO)O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C
- InChI
- InChI=1S/C30H48O5/c1-18(8-9-24(34)30(7,35)17-31)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31,34-35H,8-17H2,1-7H3/t18?,19?,22?,24-,27?,28?,29?,30-/m1/s1