| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I463895-1mg |
1mg |
期货  |
|
| 英文别名 | HY-N4191 | SCHEMBL13294492 | isorosmanol | DTXSID601318169 | MS-25327 | AKOS037515328 | CHEBI:175403 | (1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
|---|---|
| 规格或纯度 | ≥95%(LC/MS-ELSD) |
| 英文名称 | Isorosmanol |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Description Natural product derived from plant source.} |
| 纯度 | ≥95%(LC/MS-ELSD) |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one |
| INCHI | 1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1 |
| InChi Key | UXVPWKDITRJELA-CLWJZODNSA-N |
| Smiles | CC(C)C1=C(C(=C2C(=C1)C3C(C4C2(CCCC4(C)C)C(=O)O3)O)O)O |
| Isomeric SMILES | CC(C)C1=C(C(=C2C(=C1)[C@@H]3[C@@H]([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O |
| UN Number | 3077 |
| 分子量 | 346.42 |
| Reaxy-Rn | 50094752 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50094752&ln= |
| 闪点(℉) | Not applicable |
|---|---|
| 闪点(℃) | Not applicable |
| 分子量 | 346.400 g/mol |
| XLogP3 | 3.400 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 1 |
| 精确质量Exact Mass | 346.178 Da |
| 单同位素质量Monoisotopic Mass | 346.178 Da |
| 拓扑极表面积Topological Polar Surface Area | 87.000 Ų |
| 重原子数Heavy Atom Count | 25 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 572.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 4 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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