基本信息
| 中文名称 | (1S,8aβ)-Decahydro-1β-hydroxy-4aα-methyl-α,8-dimethylene-2α-naphthaleneacetic acid methyl ester |
|---|---|
| 中文同义词 | |
| 英文名称 | (1S,8aβ)-Decahydro-1β-hydroxy-4aα-methyl-α,8-dimethylene-2α-naphthaleneacetic acid methyl ester |
| 英文同义词 | (1S,8aβ)-Decahydro-1β-hydroxy-4aα-methyl-α,8-dimethylene-2α-naphthaleneacetic acid methyl ester;Quadrangulin A;Quadrangolin A;2-Naphthaleneacetic acid, decahydro-1-hydroxy-4a-methyl-α,8-bis(methylene)-, methyl ester, (1S,2S,4aR,8aS)- |
| CAS号 | 81373-87-7 |
| 分子式 | C16H24O3 |
| 分子量 | 264.37 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 81373-87-7.mol |
| 结构式 |  |
(1S,8aβ)-Decahydro-1β-hydroxy-4aα-methyl-α,8-dimethylene-2α-naphthaleneacetic acid methyl ester 性质
| 沸点 | 345.5±30.0 °C(Predicted) |
|---|---|
| 密度 | 1.06±0.1 g/cm3(Predicted) |
| 储存条件 | -20°C |
| 酸度系数(pKa) | 14.52±0.60(Predicted) |
| 形态 | solid |
| 主要应用 | 代谢组学 维生素、营养保健品和天然产品 |
| InChI | 1S/C16H24O3/c1-10-6-5-8-16(3)9-7-12(14(17)13(10)16)11(2)15(18)19-4/h12-14,17H,1-2,5-9H2,3-4H3/t12-,13+,14-,16+/m0/s1 |
| InChIKey | QKJPFZYODFIADE-KNCOVGOOSA-N |
| SMILES | COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2[C@H]1O |
安全信息
| WGK Germany | 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |