![[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate structure](/static/products/1311/131180-20-6.webp)
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
概要：[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate（CAS 131180-20-6）是一种化学化合物，分子式为C31H40O16，分子量为668.23 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,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
又称：Trichothec-9-en-8-one, 15-(acetyloxy)-12,13-epoxy-7-hydroxy-3-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (3alpha,7alpha)-, (12xi)-7alpha-Hydroxy-8-oxo-3alpha-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate, 7-Hydroxy-8-oxo-3-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-12,13-epoxytrichothec-9-en-15-yl acetate
| 分子式 | C31H40O16 |
|---|---|
| 分子量 | 668.23 g/mol |
| LogP | -0.5 |
| 拓扑极性表面积 | 209.0 Ų |
| 氢键供体数 | 1 |
| 氢键受体数 | 16 |
| 可旋转键数 | 14 |
| 精确质量 | 668.2316 |
| 重原子数 | 47 |
| 复杂度 | 1370.0 |
化学标识符
| CAS 编号 | 131180-20-6 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H](C34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)COC(=O)C |
| InChIKey | XOYFCOQUSMOQKC-ODJDFNQLSA-N |
产品概述
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate（CAS 131180-20-6），分子式为C31H40O16，分子量为668.23 g/mol。IUPAC名：[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate。
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate化学性质概览
属性洞察：[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的XLogP值为-0.5，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209.0 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,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate有1个氢键供体和16个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的CAS号是多少？
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的CAS号为131180-20-6。
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的分子式是什么？
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的分子式为C31H40O16。
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的分子量是多少？
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的分子量为668.23 g/mol。
在哪里可以购买[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate？
您可以直接向科弘生物询价[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-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,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-2-yl]methyl acetate的定制合成服务？
是的，科弘生物提供[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1R,2R,3S,7R,9R,10R)-2-(acetyloxymethyl)-3-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl]oxyoxan-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。