(E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
(E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid · CAS 120462-48-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
- CAS
- 120462-48-8
- CID
- 14193998
- IUPAC 名称
- (E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
- CAS
- 120462-48-8
- CID
- 14193998
- IUPAC 名称
- (E)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid
分子属性
- 分子式
- C30H40O7
- 分子量
- 512.6 g/mol
- 精确质量
- 512.27740361 Da
- 单同位素质量
- 512.27740361 Da
- XLogP
- 2.7
- 极性表面积
- 126 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 1170
结构标识
- InChIKey
- SXBOKJLQZQAVPU-XNTDXEJSSA-N
- SMILES
- CC(CC(=O)/C=C(\C)/C1CC(=O)C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O
- InChI
- InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18,21-22,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+