主记录
DTXSID401191612
- CAS
- 39931-82-3
- PubChem CID
- 15181192
- SMILES
- C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC(C5)(OC)OC
- 分子式
- C20H28O4
- 分子量
- 332.44
- 精确分子量
- 332.1988
- InChI
- InChI=1S/C20H28O4/c1-17-8-7-15-13(14(17)4-5-16(17)21)6-9-18-12-19(22-2,23-3)10-11-20(15,18)24-18/h7,13-14H,4-6,8-12H2,1-3H3/t13-,14-,17-,18+,20+/m0/s1
- InChIKey
- NNWBVVMIBVKXKR-YAUBAPCASA-N
- LogP
- 3.3927
- TPSA
- 48.06
名称与别名
- SCHEMBL2531043
- DTXSID401191612
- 3,3-Dimethoxy-5alpha,10alpha-5,10-epoxyestr-9(11)-en-17-one
- 39931-82-3
- Estr-9(11)-en-17-one, 5,10-epoxy-3,3-dimethoxy-, (5alpha,10alpha)-
- Estr-9(11)-en-17-one, 5,10-epoxy-3,3-dimethoxy-, (5I+/-,10I+/-)-