(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid · CAS 198976-06-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid
- CAS
- 198976-06-6
- CID
- 9981690
- IUPAC 名称
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid
- CAS
- 198976-06-6
- CID
- 9981690
- IUPAC 名称
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]oxane-2-carboxylic acid
分子属性
- 分子式
- C21H32O11
- 分子量
- 460.5 g/mol
- 精确质量
- 460.19446183 Da
- 单同位素质量
- 460.19446183 Da
- XLogP
- 1.2
- 极性表面积
- 153 Ų
- 氢键供体
- 4
- 氢键受体
- 11
- 可旋转键
- 3
- 重原子数
- 32
- 净电荷
- 0
- 结构复杂度
- 749
结构标识
- InChIKey
- ZPXMEOGHWWIMAF-NUVCKGRJSA-N
- SMILES
- C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C
- InChI
- InChI=1S/C21H32O11/c1-8-4-5-11-9(2)17(28-18-14(24)12(22)13(23)15(27-18)16(25)26)29-19-21(11)10(8)6-7-20(3,30-19)31-32-21/h8-15,17-19,22-24H,4-7H2,1-3H3,(H,25,26)/t8-,9-,10+,11+,12+,13+,14-,15+,17+,18+,19-,20+,21-/m1/s1