羟基马桑毒内酯结构式
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常用名 | 羟基马桑毒内酯 | 英文名 | Tutin |
|---|---|---|---|---|
| CAS号 | 2571-22-4 | 分子量 | 294.300 | |
| 密度 | 1.5±0.1 g/cm3 | 沸点 | 550.9±50.0 °C at 760 mmHg | |
| 分子式 | C15H18O6 | 熔点 | 209-212°; mp 204-205° (Wakamatsu) | |
| MSDS | N/A | 闪点 | 212.6±23.6 °C |
| 中文名 | 羟基马桑毒内酯 |
|---|---|
| 英文名 | Tutin |
| 中文别名 | 羟基马桑内酯 |
| 英文别名 | 更多 |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 550.9±50.0 °C at 760 mmHg |
| 熔点 | 209-212°; mp 204-205° (Wakamatsu) |
| 分子式 | C15H18O6 |
| 分子量 | 294.300 |
| 闪点 | 212.6±23.6 °C |
| 精确质量 | 294.110352 |
| PSA | 91.82000 |
| LogP | 1.38 |
| InChIKey | CCAZWUJBLXKBAY-UHFFFAOYSA-N |
| SMILES | C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O |
| 蒸汽压 | 0.0±3.4 mmHg at 25°C |
| 折射率 | 1.637 |
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实验名称:Antiproliferative activity against human HCT-116 cells assessed as reduction in cell ...
来源:ChEMBL
靶标:HCT-116
External Id:CHEMBL4703281
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实验名称:Antiproliferative activity against human A549 cells assessed as reduction in cell via...
来源:ChEMBL
靶标:A549
External Id:CHEMBL4703283
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实验名称:Antiproliferative activity against human U87 cells assessed as reduction in cell viab...
来源:ChEMBL
靶标:U-87 MG
External Id:CHEMBL4703282
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实验名称:Binding energy by using the equation deltaG obsd = -RT ln KD
来源:ChEMBL
靶标:N/A
External Id:CHEMBL844273
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| (1S,2R,3S,5R,6R,7R,8S,9R,12R)-2,8-Dihydroxy-12-isopropenyl-7-methyl-11H-spiro[4,10-dioxatetracyclo[7.2.1.0.0]dodecane-6,2'-oxiran]-11-one |
| Toot poison |
| [1aS-(1aa,1bb,2b,5b,6a,6ab,7b,7aa,8S*)]-Hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)spiro(2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran)-3(2H)-one |
| (1aS,1bR,2S,5R,6S,6aR,7R,7aR,8R)-1b,6-dihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one |
| Tutu |
| (1S,2R,3S,5R,6R,7R,8S,9R,12R)-2,8-Dihydroxy-7-methyl-12-(prop-1-en-2-yl)-11H-spiro[4,10-dioxatetracyclo[7.2.1.0.0]dodecane-6,2'-oxiran]-11-one |