Methyl beta-glycyrrhetinate
Methyl beta-glycyrrhetinate · CAS 5092-01-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl beta-glycyrrhetinate
- CAS
- 5092-01-3
- CID
- 199834
- IUPAC 名称
- methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl beta-glycyrrhetinate
- CAS
- 5092-01-3
- CID
- 199834
- IUPAC 名称
- methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
分子属性
- 分子式
- C31H48O4
- 分子量
- 484.7 g/mol
- 精确质量
- 484.35526001 Da
- 单同位素质量
- 484.35526001 Da
- XLogP
- 6.7
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 980
结构标识
- InChIKey
- RMIVRCBSQPCSCQ-SFGZHJQGSA-N
- SMILES
- C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC
- InChI
- InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22?,23+,24-,27-,28-,29+,30-,31-/m1/s1