(8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one · CAS 63543-52-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- CAS
- 63543-52-2
- CID
- 73554071
- IUPAC 名称
- (8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- CAS
- 63543-52-2
- CID
- 73554071
- IUPAC 名称
- (8R,9R,10R,14S,17S)-17-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
分子属性
- 分子式
- C30H48O2
- 分子量
- 440.7 g/mol
- 精确质量
- 440.36543077 Da
- 单同位素质量
- 440.36543077 Da
- XLogP
- 8.4
- 极性表面积
- 29.6 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子数
- 32
- 净电荷
- 0
- 结构复杂度
- 823
结构标识
- InChIKey
- HKRMRIDUAZDXGO-XGDKYGCGSA-N
- SMILES
- C[C@]12CCC(=O)C(C1CC[C@@]3([C@@H]2CCC4[C@@]3(CC[C@@H]4C(=C)CCC5C(O5)(C)C)C)C)(C)C
- InChI
- InChI=1S/C30H48O2/c1-19(9-12-25-27(4,5)32-25)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21?,22?,23-,25?,28+,29+,30-/m1/s1