7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid · CAS 100648-29-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
- CAS
- 100648-29-1
- CID
- 3246839
- IUPAC 名称
- 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]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,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
- CAS
- 100648-29-1
- CID
- 3246839
- IUPAC 名称
- 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-3-methylidenecyclopentyl]hept-5-enoic acid
分子属性
- 分子式
- C21H34O4
- 分子量
- 350.5 g/mol
- 精确质量
- 350.24570956 Da
- 单同位素质量
- 350.24570956 Da
- XLogP
- 3.7
- 极性表面积
- 77.8 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 12
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 467
结构标识
- InChIKey
- ROZAFJXVUNORLT-HAGHYFMRSA-N
- SMILES
- CCCCC[C@@H](C=C[C@@H]1[C@H]([C@H](CC1=C)O)CC=CCCCC(=O)O)O
- InChI
- InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-18-16(2)15-20(23)19(18)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/t17-,18-,19+,20-/m0/s1