InChIKey | KDFKJOFJHSVROC-INIZCTEOSA-N |
Inchi | 1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
SMILES | O(C([H])([H])[H])C1=C(C([H])=C([H])C2=C1C([H])([H])N1C([H])([H])C([H])([H])C3=C([H])C(=C(C([H])=C3[C@]1([H])C2([H])[H])O[H])OC([H])([H])[H])OC([H])([H])[H] |
LogP | 3.01140 |
PSA | 51.16000 |
熔点 | 240-241 ºC |
颜色与性状 | Powder |
密度 | 1.29 |
精确分子量 | 341.16300 |
氢键供体数量 | 1 |
氢键受体数量 | 5 |
可旋转化学键数量 | 3 |
同位素质量 | 341.16270821 g/mol |
重原子数量 | 25 |
复杂度 | 461 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 1 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 2.9 |
拓扑分子极性表面积 | 51.2 |
分子量 | 341.4 |
海关编码 | 2933990090 |
海关数据 |
中国海关编码:2933990090概述:2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素:品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 Summary:2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
1.
Index pages
Nat. Prod. Rep. 1987 4 I1
2.
β-Phenylethylamines and the isoquinoline alkaloids
K. W. Bentley Nat. Prod. Rep. 1993 10 449
3.
Biologically active isoquinoline alkaloids with drug-like properties from the genus Corydalis
M. Iranshahy,R. J. Quinn,M. Iranshahi RSC Adv. 2014 4 15900
4.
β-Phenylethylamines and the isoquinoline alkaloids
Kenneth W. Bentley Nat. Prod. Rep. 2002 19 332
5.
The classification and identification of complex chemical compositions in yanhusuo herb using UPLC-Q-TOF/MS
Lei Yuan,Jia Yin,Meng Tian,Jiabin Xie,Yuan Wang,Zhiguo Hou,Yubo Li,Yanjun Zhang Anal. Methods 2016 8 2274
6.
Biosynthesis of plant-specific alkaloids tetrahydroprotoberberines in engineered Escherichia coli
Wanli Zhao,Manyu Liu,Chen Shen,Kemeng Liu,Hanqing Liu,Chenhui Ou,Wenling Dai,Xiufeng Liu,Jihua Liu Green Chem. 2021 23 5944
7.
Yeast-based genome mining, production and mechanistic studies of the biosynthesis of fungal polyketide and peptide natural products
Yuta Tsunematsu,Kan'ichiro Ishiuchi,Kinya Hotta,Kenji Watanabe Nat. Prod. Rep. 2013 30 1139
8.
Zeolite based solid-phase extraction coupled with UPLC-Q-TOF-MS for rapid analysis of acetylcholinesterase binders from crude extract of Corydalis yanhusuo
Yi Tao,Yanhui Jiang,Weidong Li,Baochang Cai RSC Adv. 2016 6 98476
9.
β-Phenylethylamines and the isoquinoline alkaloids
Kenneth W. Bentley Nat. Prod. Rep. 2006 23 444
10.
Biosynthesis. Part XXII. The origin of chelidonine and of other alkaloids derived from the tetrahydroprotoberberine skeleton
Alan R. Battersby,James Staunton,Hugh R. Wiltshire,R. John Francis,Robert Southgate J. Chem. Soc. Perkin Trans. 1 1975 1147
SMILES
COC1=C(O)C=C2[C@H]3N(CCC2=C1)CC4=C(C=CC(OC)=C4OC)C3
物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性