uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846647B2
查看![(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid 分子结构式](/api/mol/67775516/svg/360x280.svg)
HCID67775516
(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-9-(4-methoxycarbonylphenyl)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
C38H56O4576.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1ccc([C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1
- InChIKey
- AOVNSOUBJBEOEL-CCNIEAMXSA-N
- 分子式
- C38H56O4
- 平均分子量
- 576.8 g/mol
- 单同位素质量
- 576.41786026
COMPUTED
结构计算性质
- XLogP
- 10.9
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 1,070
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL9107282AOVNSOUBJBEOEL-CCNIEAMXSA-N(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
REACTIONS
