31262-38-1
英文名称
propyl-delta(8)-tetrahydrocannabinol
CAS
31262-38-1
分子式
C19H26O2
分子量
286.41
MOL 文件
31262-38-1.mol
结构式
基本信息
英文别名
Δ8-Tetrahydrocannabivarin
propyl-delta(8)-tetrahydrocannabinol
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-propyl-, (6aR,10aR)-
propyl-delta(8)-tetrahydrocannabinol
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-propyl-, (6aR,10aR)-
物理化学性质
| 沸点 | 353.2±42.0 °C(Predicted) |
| 密度 | 1.034±0.06 g/cm3(Predicted) |
| 储存条件 | -65 to -96°C |
| 溶解度 | DMF: 50 mg/ml DMSO: 50 mg/ml DMSO: PBS (pH 7.2) (1:3): 250µg/ml Ethanol: 30 mg/ml Methanol: 30 mg/ml |
| 酸度系数(pKa) | 9.81±0.60(Predicted) |
| InChI | 1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7,10-11,14-15,20H,5-6,8-9H2,1-4H3/t14-,15-/m1/s1 |
| InChIKey | CDBDULHNWQRYSY-HUUCEWRRSA-N |
| SMILES | O1C([C@H]2[C@@H](CC(=CC2)C)c3c1cc(cc3O)CCC)(C)C |
安全数据
| WGK Germany | WGK 2 |
| 存储类别 | 3 - Flammable liquids |
| 危险性类别 | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |