主记录
Ciprostene (calcium salt)
- CAS
- 81703-55-1
- PubChem CID
- 54763
- SMILES
- CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.CCCCC[C@H](C=C[C@H]1[C@@H]2CC(=CCCCC(=O)[O-])C[C@@]2(C[C@@H]1O)C)O.[Ca+2]
- 分子式
- C44H70CaO8
- 分子量
- 767.114
- 精确分子量
- 766.4697
- InChI
- InChI=1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/t2*17-,18+,19+,20+,22-;/m11./s1
- InChIKey
- NJTMVDAFPIEZAJ-BLLBXVCWSA-L
- LogP
- 5.8742
- TPSA
- 161.18
名称与别名
- Ciprostene (calcium salt)
- CTK8F8669
- 81703-55-1