Otophylloside F
Otophylloside F · CAS 250217-73-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Otophylloside F
- CAS
- 250217-73-3
- CID
- 134714933
- IUPAC 名称
- [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Otophylloside F
- CAS
- 250217-73-3
- CID
- 134714933
- IUPAC 名称
- [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
分子属性
- 分子式
- C48H76O16
- 分子量
- 909.1 g/mol
- 精确质量
- 908.51333633 Da
- 单同位素质量
- 908.51333633 Da
- XLogP
- 3.1
- 极性表面积
- 218 Ų
- 氢键供体
- 5
- 氢键受体
- 16
- 可旋转键
- 13
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1770
结构标识
- InChIKey
- WUXHIIZZAYEGCQ-LQUFWMPFSA-N
- SMILES
- C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5([C@H]6C[C@H]([C@@]7([C@@](CC[C@@]7([C@@]6(CC=C5C4)O)O)(C(=O)C)O)C)OC(=O)/C=C(\C)/C(C)C)C)C)C)OC)O
- InChI
- InChI=1S/C48H76O16/c1-24(2)25(3)18-37(51)62-36-23-35-44(8)14-13-31(19-30(44)12-15-47(35,54)48(55)17-16-46(53,29(7)49)45(36,48)9)61-38-20-32(50)42(27(5)59-38)63-40-22-34(57-11)43(28(6)60-40)64-39-21-33(56-10)41(52)26(4)58-39/h12,18,24,26-28,31-36,38-43,50,52-55H,13-17,19-23H2,1-11H3/b25-18+/t26-,27-,28-,31+,32+,33-,34+,35-,36-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-/m1/s1