主记录
DTXSID601142673
- CAS
- 108674-98-2
- PubChem CID
- 14822535
- SMILES
- CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Cl)C)OC(=O)C5=CN=CC=C5
- 分子式
- C29H34ClNO6
- 分子量
- 528.045
- 精确分子量
- 527.2075
- InChI
- InChI=1S/C29H34ClNO6/c1-18(32)36-17-24(34)29(37-25(35)19-5-4-14-31-16-19)11-9-22-23-7-6-20-15-21(33)8-10-26(20,2)28(23,30)13-12-27(22,29)3/h4-5,14-16,22-23H,6-13,17H2,1-3H3/t22-,23-,26-,27-,28+,29-/m0/s1
- InChIKey
- CCRCAWQSVRZMNJ-LUPRTXKKSA-N
- LogP
- 5.0027
- TPSA
- 99.63
名称与别名
- DTXSID601142673
- 21-(Acetyloxy)-9-chloro-17-[(3-pyridinylcarbonyl)oxy]pregn-4-ene-3,20-dione
- 108674-98-2
- 21-(Acetyloxy)-9-chloro-3,20-dioxopregn-4-en-17-yl pyridine-3-carboxylate