![[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate structure](/static/products/1948/194861-70-6.webp)
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
概要：[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate（CAS 194861-70-6）是一种化学化合物，分子式为C44H74O14，分子量为826.51 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。
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(5R,10R,12S,14R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,5,10,14-pentamethyl-2,3,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
又称：[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(5R,10R,12S,14R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,5,10,14-pentamethyl-2,3,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate|[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| 分子式 | C44H74O14 |
|---|---|
| 分子量 | 826.51 g/mol |
| LogP | 4.0 |
| 拓扑极性表面积 | 225.0 Ų |
| 氢键供体数 | 8 |
| 氢键受体数 | 14 |
| 可旋转键数 | 12 |
| 精确质量 | 826.5079 |
| 重原子数 | 58 |
| 复杂度 | 1490.0 |
化学标识符
| CAS 编号 | 194861-70-6 |
|---|---|
| SMILES | CC(=CCC[C@@](C)(C1CC[C@]2(C1[C@H](CC3C2CC[C@@]4([C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O)C)C)O)C)O)C |
| InChIKey | HDOVPYFFNMNHIW-KJQPNMOOSA-N |
产品概述
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate（CAS 194861-70-6），分子式为C44H74O14，分子量为826.51 g/mol。IUPAC名：[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(5R,10R,12S,14R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,5,10,14-pentamethyl-2,3,6,7,8,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate。
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate化学性质概览
属性洞察：[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的XLogP值为4.0，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225.0 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate有8个氢键供体和14个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的CAS号是多少？
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的CAS号为194861-70-6。
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的分子式是什么？
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的分子式为C44H74O14。
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的分子量是多少？
[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的分子量为826.51 g/mol。
在哪里可以购买[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate？
您可以直接向科弘生物询价[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate的定制合成服务？
是的，科弘生物提供[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5aR,9aR,11S)-11-hydroxy-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,5a,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。