(1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one
(1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one · CAS 96685-01-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one
- CAS
- 96685-01-7
- CID
- 76763990
- IUPAC 名称
- (1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one
- CAS
- 96685-01-7
- CID
- 76763990
- IUPAC 名称
- (1S,2S,5R,8R,10R,11S,14S,17S,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one
分子属性
- 分子式
- C20H26O5
- 分子量
- 346.4 g/mol
- 精确质量
- 346.17802393 Da
- 单同位素质量
- 346.17802393 Da
- XLogP
- 1.1
- 极性表面积
- 76 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 0
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 704
结构标识
- InChIKey
- MOBGVVQDJSDAER-BWWMJFBFSA-N
- SMILES
- C[C@@]12CC[C@@H]([C@]34[C@@H]1C[C@H]([C@]56[C@H]3CC[C@H]([C@H]5O)C(=C)C6=O)O[C@H]4OC2)O
- InChI
- InChI=1S/C20H26O5/c1-9-10-3-4-11-19-12-7-14(20(11,15(9)22)16(10)23)25-17(19)24-8-18(12,2)6-5-13(19)21/h10-14,16-17,21,23H,1,3-8H2,2H3/t10-,11-,12+,13-,14+,16+,17+,18-,19+,20-/m0/s1