2-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid
2-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid · CAS 99518-38-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid
- CAS
- 99518-38-4
- CID
- 110204036
- IUPAC 名称
- (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-{4-[2-(5-Hydroxy-2-methylene-cyclohexylidene)-ethylidene]-7a-methyl-octahydro-inden-1-yl}-propionic acid
- CAS
- 99518-38-4
- CID
- 110204036
- IUPAC 名称
- (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoic acid
分子属性
- 分子式
- C22H32O3
- 分子量
- 344.5 g/mol
- 精确质量
- 344.23514488 Da
- 单同位素质量
- 344.23514488 Da
- XLogP
- 4.3
- 极性表面积
- 57.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 615
结构标识
- InChIKey
- RKERCEDUZVOFRX-BJRACPDASA-N
- SMILES
- C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C(=O)O
- InChI
- InChI=1S/C22H32O3/c1-14-6-9-18(23)13-17(14)8-7-16-5-4-12-22(3)19(10-11-20(16)22)15(2)21(24)25/h7-8,15,18-20,23H,1,4-6,9-13H2,2-3H3,(H,24,25)/b16-7+,17-8-/t15-,18-,19+,20-,22+/m0/s1