化工社化工社 化学情報印刷レポート · 研究参考用
(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
![(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione の分子構造式](/img/chemical/4591.png)
識別子と物理属性
| 分子式 | C45H74O11 |
|---|---|
| 平均分子量 | 791.1 g/mol |
| 単同位体質量 | 790.52311317 g/mol |
| SMILES | CCC1C=CC=CCC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C |
| InChIKey | MNULEGDCPYONBU-UHFFFAOYSA-N |
| PubChem CID | 4591 |
| DTXSID | DTXSID90859640 |
化学・物理的性質
| XLogP | 7.1 |
|---|---|
| 極性表面積 | 180 |
| 水素結合供与体数 | 5 |
| 水素結合受容体数 | 11 |
| 回転可能結合数 | 3 |
| 重原子数 | 56 |
| 形式電荷 | 0 |
| 複雑度 | 1,390 |