| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A191821-250mg |
250mg |
期货  |
| |
| A191821-1g |
1g |
期货 |
|
| 英文别名 | DS-1070 | methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate | MFCD18252911 | 11-alpha-Hydroxy canrenone methyl ester | DTXSID0034841 |
|---|---|
| 规格或纯度 | 97% |
| 英文名称 | 11-A-Hydroxy canrenone methyl ester |
| 储存温度 | 室温 |
| 运输条件 | 常规运输 |
| IUPAC Name | methyl (7R,8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate |
|---|---|
| INCHI | InChI=1S/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,20+,22+,23+,24-/m1/s1 |
| InChi Key | ZYDNRZOTRVTMRC-IIYDDONESA-N |
| Canonical SMILES | CC12CCC(=O)C=C1CC(C3C2C(CC4(C3CCC45CCC(=O)O5)C)O)C(=O)OC |
| Isomeric SMILES | C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O)C(=O)OC |
| PubChem CID | 637221 |
| 分子量 | 416.51 |
| 分子量 | 416.500 g/mol |
|---|---|
| XLogP3 | 1.000 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 2 |
| 精确质量Exact Mass | 416.22 Da |
| 单同位素质量Monoisotopic Mass | 416.22 Da |
| 拓扑极表面积Topological Polar Surface Area | 89.900 Ų |
| 重原子数Heavy Atom Count | 30 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 847.000 |
| 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 | 8 |
| 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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