uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07196081B2
查看![Ethyl 11-[3,17beta-bis(benzyloxy)estra-1,3,5(10), 9(11)-tetraen-11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-9-undecenoate 分子结构式](/api/mol/86588531/svg/360x280.svg)
HCID86588531
Ethyl 11-[3,17beta-bis(benzyloxy)estra-1,3,5(10), 9(11)-tetraen-11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-9-undecenoate
ethyl 11-[(8S,13S,14S,17S)-13-methyl-3,17-bis(phenylmethoxy)-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)undec-9-enoate
C51H59F9O4907 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)C(CCCCCCC=CCC1=C2c3ccc(OCc4ccccc4)cc3CC[C@H]2[C@@H]2CC[C@H](OCc3ccccc3)[C@@]2(C)C1)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- InChIKey
- ROORRYAKWSUMRD-ZZCCVNICSA-N
- 分子式
- C51H59F9O4
- 平均分子量
- 907 g/mol
- 单同位素质量
- 906.42696382
COMPUTED
结构计算性质
- XLogP
- 14.5
- 极性表面积
- 44.8 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 23
- 重原子
- 64
- 形式电荷
- 0
- 复杂度
- 1,530
ALIASES
名称与别名
ethyl 11-[3,17beta-bis(benzyloxy)estra-1,3,5(10), 9(11)-tetraen-11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-9-undecenoateEthyl 11-[3,17beta-bis(benzyloxy)estra-1,3,5(10),9(11)-tetraen -11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-9-undecenoateethyl 11-[3,17beta-bis(benzyloxy)estra-1,3,5(10),9(11)-tetraen-11-yl]-2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-9-undecenoate
REACTIONS
