| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| P427182-1ml |
1ml |
现货  |
|
| 英文别名 | 19-Norlanosta-5,23-diene-11,22-dione,3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-20,24-epoxy-16-hydroxy-9-methyl-,(3α,9β,10α,16α)- |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | Picfeltarraenin IB |
| 生化机理 | Picfeltarraenin IB 是一种从 Picriafel-terrae 中分离出来的葫芦素苷，是乙酰胆碱酯酶（AChE）的抑制剂。Picfeltarraenin IB 可用于治疗疱疹感染、癌症和炎症。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Information Picfeltarraenin IB, a cucurbitacin glycoside isolated from Picriafel-terrae, is an inhibitor ofacetylcholinesterase (AChE). Picfeltarraenin IB can be used for the treatment of herpes infections, cancer and inflammation. Targets AChE |
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | (2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one |
| INCHI | InChI=1S/C42H64O14/c1-18(2)23-14-26(45)42(9,56-23)35-22(44)15-39(6)25-12-10-20-21(41(25,8)27(46)16-40(35,39)7)11-13-28(38(20,4)5)54-37-34(32(50)30(48)24(17-43)53-37)55-36-33(51)31(49)29(47)19(3)52-36/h10,14,18-19,21-22,24-25,28-37,43-44,47-51H,11-13,15-17H2,1-9H3/t19-,21+,22+,24+,25-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,39-,40+,41-,42-/m0/s1 |
| InChi Key | YRQJYHITIWJZQN-UGBBSPHQSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O |
| Isomeric SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3CC[C@@H]4C(=CC[C@@H]5[C@]4(C(=O)C[C@]6([C@]5(C[C@H]([C@@H]6[C@@]7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O |
| PubChem CID | 102120501 |
| 分子量 | 792.95 |
| 分子量 | 792.900 g/mol |
|---|---|
| XLogP3 | 1.400 |
| 氢键供体数Hydrogen Bond Donor Count | 7 |
| 氢键受体数Hydrogen Bond Acceptor Count | 14 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 792.43 Da |
| 单同位素质量Monoisotopic Mass | 792.43 Da |
| 拓扑极表面积Topological Polar Surface Area | 222.000 Ų |
| 重原子数Heavy Atom Count | 56 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1630.000 |
| 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 | 19 |
| 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 |
| Concentration(Compounding value) | 9.0-11.0(mmol/L) |
|---|---|
| NMR Spectrum 1H | Conforms to structure |
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