![[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate structure](/static/products/9881/98813-17-3.webp)
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
概要：[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate（CAS 98813-17-3）是一种化学化合物，分子式为C22H32O8，分子量为424.21 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。
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
又称：Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4-acetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)-, 4-(Acetyloxy)-3,15-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate, (12xi)-4beta-(Acetyloxy)-3alpha,15-dihydroxy-12,13-epoxytrichothec-9-en-8alpha-yl 3-methylbutanoate
| 分子式 | C22H32O8 |
|---|---|
| 分子量 | 424.21 g/mol |
| LogP | 0.4 |
| 拓扑极性表面积 | 115.0 Ų |
| 氢键供体数 | 2 |
| 氢键受体数 | 8 |
| 可旋转键数 | 7 |
| 精确质量 | 424.20972 |
| 重原子数 | 30 |
| 复杂度 | 777.0 |
化学标识符
| CAS 编号 | 98813-17-3 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)OC(=O)C)C)CO |
| InChIKey | NUZCGRJXRNRXPV-KOOSMNDCSA-N |
产品概述
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate（CAS 98813-17-3），分子式为C22H32O8，分子量为424.21 g/mol。IUPAC名：[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate。
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate化学性质概览
属性洞察：[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的XLogP值为0.4，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为115.0 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，[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate有2个氢键供体和8个氢键受体，均在类药范围内，提示具有较好的口服生物利用度潜力。
常见问题
常见问题
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的CAS号是多少？
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的CAS号为98813-17-3。
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的分子式是什么？
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的分子式为C22H32O8。
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的分子量是多少？
[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的分子量为424.21 g/mol。
在哪里可以购买[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate？
您可以直接向科弘生物询价[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate。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[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate的定制合成服务？
是的，科弘生物提供[(1S,2R,4S,7R,9R,10R,11S)-11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-methylbutanoate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。