(2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
(2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid · CAS 98665-21-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
- CAS
- 98665-21-5
- CID
- 475412
- IUPAC 名称
- (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,6R)-6-((5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
- CAS
- 98665-21-5
- CID
- 475412
- IUPAC 名称
- (2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 2 个编号（PubChem CID 475412）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
分子属性
- 分子式
- C30H44O6
- 分子量
- 500.7 g/mol
- 精确质量
- 500.31378912 Da
- 单同位素质量
- 500.31378912 Da
- XLogP
- 3.5
- 极性表面积
- 109 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子数
- 36
- 净电荷
- 0
- 结构复杂度
- 1040
结构标识
- InChIKey
- XRXBNTYHQXKSAO-WRRQQOFWSA-N
- SMILES
- C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
- InChI
- InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17-,20-,22+,24+,28+,29-,30-/m1/s1