12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)
概要:12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)(CAS 74513-81-8)是一种化学化合物,分子式为C40H48O8,分子量为656.33 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务,支持克级到吨级规格。
[(1R,2S,6R,10S,11R,13S,15R)-8-[[2-(4-butoxyphenyl)acetyl]oxymethyl]-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate
又称:12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate), 12-Deoxyphorbol-13-phenylacetate-20-, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-(4-butoxyphenylacetate) 9a-phenylacetate, {(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-1,1,6,8-tetramethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl}methyl (4-butoxyphenyl)acetate, {4a,7b-Dihydroxy-1,1,6,8-tetramethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl}methyl (4-butoxyphenyl)acetate
| 分子式 | C40H48O8 |
|---|---|
| 分子量 | 656.33 g/mol |
| LogP | 5.7254 |
| 拓扑极性表面积 | 119.36 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 8 |
| 可旋转键数 | 11 |
| 精确质量 | 656.3349 |
| 重原子数 | 48 |
| 复杂度 | 1623.9456 |
化学标识符
| CAS 编号 | 74513-81-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CC(=O)OCC2=C[C@H]3[C@H]4[C@](C4(C)C)(C[C@H]([C@@]3([C@@H]5C=C(C(=O)[C@]5(C2)O)C)O)C)OC(=O)CC6=CC=CC=C6 |
产品概述
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)(CAS 74513-81-8),分子式为C40H48O8,分子量为656.33 g/mol。IUPAC名:[(1R,2S,6R,10S,11R,13S,15R)-8-[[2-(4-butoxyphenyl)acetyl]oxymethyl]-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate。
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)化学性质概览
属性洞察:12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的XLogP值为5.7254,表明该化合物具有亲脂性(脂溶性好),可能影响其吸收、分布和配方策略。 TPSA为119.36 Ų,处于中等极性范围,在透过性和溶解性之间取得平衡。 根据Lipinski五规则,12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)有2个氢键供体和8个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的CAS号是多少?
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的CAS号为74513-81-8。
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的分子式是什么?
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的分子式为C40H48O8。
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的分子量是多少?
12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)的分子量为656.33 g/mol。
在哪里可以购买12-Deoxyphorbol-13-phenylacetate-20-(4-butoxyphenylacetate)?
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