3162-56-9
中文名称
化合物 Vulgarin
英文名称
TAUREMIZINE
CAS
3162-56-9
分子式
C15H20O4
分子量
264.32
MOL 文件
3162-56-9.mol
结构式
基本信息
中文别名
化合物 Vulgarin
英文别名
Vulgarin
Judaicin (eudesmane naphthofuran)
C09600
Barrelin
Tauremizin
Tauremisin
TAUREMIZINE
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9β-hydroxy-3,5aα,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9-hydroxy-3β,5aα,9α-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,5a,9,9a-hexahydronaphtho[1,2-b]furan-2,6(3H,9bH)-dione
Judaicin (eudesmane naphthofuran)
C09600
Barrelin
Tauremizin
Tauremisin
TAUREMIZINE
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9β-hydroxy-3,5aα,9-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
(3S)-3aβ,5,5a,9,9aβ,9bα-Hexahydro-9-hydroxy-3β,5aα,9α-trimethylnaphtho[1,2-b]furan-2,6(3H,4H)-dione
(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,5a,9,9a-hexahydronaphtho[1,2-b]furan-2,6(3H,9bH)-dione
物理化学性质
| 熔点 | 240-243 °C |
| 沸点 | 449.9±45.0 °C(Predicted) |
| 密度 | 1.200±0.06 g/cm3(Predicted) |
| 储存条件 | -20°C |
| 酸度系数(pKa) | 13.15±0.60(Predicted) |
| 形态 | solid |
| 主要应用 | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1 |
| InChIKey | NGPDZEACIWDCKX-WUDKWMPASA-N |
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O |
