7-[(1R,2R,3R,5R)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
7-[(1R,2R,3R,5R)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid · CAS 59769-89-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7-[(1R,2R,3R,5R)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
- CAS
- 59769-89-0
- CID
- 3246829
- IUPAC 名称
- 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7-[(1R,2R,3R,5R)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
- CAS
- 59769-89-0
- CID
- 3246829
- IUPAC 名称
- 7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
分子属性
- 分子式
- C22H38O5
- 分子量
- 382.5 g/mol
- 精确质量
- 382.27192431 Da
- 单同位素质量
- 382.27192431 Da
- XLogP
- 3.6
- 极性表面积
- 98 Ų
- 氢键供体
- 4
- 氢键受体
- 5
- 可旋转键
- 12
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 497
结构标识
- InChIKey
- YMRWVEHSLXJOCD-LASHMREHSA-N
- SMILES
- CCCCC(C)(C)[C@@H](C=C[C@H]1[C@@H](C[C@H]([C@@H]1CC=CCCCC(=O)O)O)O)O
- InChI
- InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/t16-,17-,18-,19-,20-/m1/s1