![[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯 structure](/static/products/1125/112515-98-7.webp)
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯
概要：[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯（CAS 112515-98-7）是一种化学化合物，分子式为C59H96O27，分子量为1236.61 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。
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
又称：Virgaureasaponin I, Bernardioside D, Virgaureasaponin 1, Bellissaponin BS2, Bellidiastroside D1
| 分子式 | C59H96O27 |
|---|---|
| 分子量 | 1236.61 g/mol |
| LogP | -1.9 |
| 拓扑极性表面积 | 433.0 Ų |
| 氢键供体数 | 16 |
| 氢键受体数 | 27 |
| 可旋转键数 | 13 |
| 精确质量 | 1236.6139 |
| 重原子数 | 86 |
| 复杂度 | 2420.0 |
化学标识符
| CAS 编号 | 112515-98-7 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H]([C@H](O[C@H]4OC(=O)C56CCC(C[C@H]5C7=CC[C@H]8[C@]([C@@]7(C[C@H]6O)C)(CC[C@@H]9[C@@]8(C[C@@H]([C@@H]([C@@]9(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)(C)C)C)O)O)C)O)O)O)O |
| InChIKey | CIWGZAMPYZZVBR-LBZBBBEFSA-N |
📋 应用领域
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯主要应用于有机合成与工艺化学。在实验室中常作为通用有机合成砌块使用。科弘生物供应[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯（CAS 112515-98-7），提供毫克级到公斤级定制合成，随货提供COA、MSDS及HPLC/NMR/MS分析报告。
产品概述
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯（CAS 112515-98-7）是一种精细化学品，分子式为C59H96O27，分子量 1236.61 g/mol。 该化合物又名Virgaureasaponin I、Bernardioside D。
科弘生物提供目录供应与定制合成（毫克至吨级），支持HPLC/NMR/MS全套检测，随货附COA与MSDS。请告知所需数量与纯度，获取报价与货期。
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯化学性质概览
属性洞察：[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的XLogP值为-1.9，表明该化合物具有亲水性（水溶性好），适合水性配方和生物检测应用。 TPSA为433.0 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，[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯有16个氢键供体和27个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的CAS号是多少？
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的CAS号为112515-98-7。
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的分子式是什么？
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的分子式为C59H96O27。
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的分子量是多少？
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的分子量为1236.61 g/mol。
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯有哪些应用？
[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基]...
在哪里可以购买[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯？
您可以直接向科弘生物询价[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯。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[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯的定制合成服务？
是的，科弘生物提供[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-二羟基-4-[(2S,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基噁烷-2-基]氧代氧杂-2-基]氧代-3,4-二羟基-6-甲基噁烷-2-基]氧代-4,5-二羟基-6-甲基噁烷-2-基] (5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-二羟基-9-(羟基甲基)-2,2,6a,6b,9,12a-六甲基-10-[(2R,3R,4S,5S,6R)-3,4,5-三羟基-6-(羟基甲基)噁烷-2-基]氧代-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-十四氢苦味烯-4a-羧酸酯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。