Gambieric acid B
概要:Gambieric acid B(CAS 141363-65-7)是一种化学化合物,分子式为C60H94O16,分子量为1070.65 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。
(3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29,34-hexamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid
又称:Gambieric acid B, (3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29,34-hexamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid, 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3'''-5'',6'')pyrano(2' ',3''-5',6')pyrano(2',3'-6,7)oxepino(3,2-b)pyrano(2''',3'''-5'',6'')pyrano(2'',3''-5',6')pyrano(2',3'-5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-, 2-Furanpropanoic acid, 5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)tetrahydro-beta,3-dimethyl-, 2-Furanpropanoic acid, tetrahydro-beta,3-dimethyl-5-(3-(2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-(5-hydroxy-2,4-dimethyl-2-pentenyl)-6a,8,12a,13a,17,27a-hexamethyl-3-methyleneoxepino(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':6,7)oxepino(3,2-b)pyrano(2''',3''':5'',6'')pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-h)oxonin-18-yl)-2-hydroxypropyl)-
| 分子式 | C60H94O16 |
|---|---|
| 分子量 | 1070.65 g/mol |
| LogP | 7.2251 |
| 拓扑极性表面积 | 210.52 Ų |
| 氢键供体数 | 5 |
| 氢键受体数 | 15 |
| 可旋转键数 | 11 |
| 精确质量 | 1070.6542 |
| 重原子数 | 76 |
| 复杂度 | 2151.1328 |
化学标识符
| CAS 编号 | 141363-65-7 |
|---|---|
| SMILES | C[C@H]1C[C@@H](O[C@H]1[C@@H](C)CC(=O)O)C[C@H](C[C@H]2[C@@](CC[C@H]3[C@H](O2)C[C@H]4[C@](O3)(C[C@]5([C@H](O4)CC[C@H]6[C@H](O5)C/C=C\[C@@H]([C@H]7[C@H](O6)C[C@H]8[C@](O7)([C@H]([C@H]9[C@H](O8)C[C@]1([C@H](O9)CC(=C)[C@H](O1)C/C(=C/[C@@H](C)CO)/C)C)O)C)C)C)C)(C)O)O |
产品概述
Gambieric acid B(CAS 141363-65-7),分子式为C60H94O16,分子量为1070.65 g/mol。IUPAC名:(3S)-3-[(2R,3S,5R)-5-[(2R)-3-[(1S,3R,5S,7R,9S,11R,14R,16S,17S,18R,20S,21S,22Z,25R,27S,29R,31S,34S,35S,37R,39S,41R)-17,34-dihydroxy-11-[(E,4R)-5-hydroxy-2,4-dimethylpent-2-enyl]-9,18,21,27,29,34-hexamethyl-12-methylidene-2,6,10,15,19,26,30,36,40-nonaoxanonacyclo[23.18.0.03,20.05,18.07,16.09,14.027,41.029,39.031,37]tritetracont-22-en-35-yl]-2-hydroxypropyl]-3-methyloxolan-2-yl]butanoic acid。
Gambieric acid B化学性质概览
属性洞察:Gambieric acid B
Gambieric acid B的XLogP值为7.2251,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210.52 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,Gambieric acid B有5个氢键供体和15个氢键受体,可能需要考虑配方优化。
常见问题
常见问题
Gambieric acid B的CAS号是多少?
Gambieric acid B的CAS号为141363-65-7。
Gambieric acid B的分子式是什么?
Gambieric acid B的分子式为C60H94O16。
Gambieric acid B的分子量是多少?
Gambieric acid B的分子量为1070.65 g/mol。
在哪里可以购买Gambieric acid B?
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