methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate · CAS 60295-53-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
- CAS
- 60295-53-6
- CID
- 5359028
- IUPAC 名称
- methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
- CAS
- 60295-53-6
- CID
- 5359028
- IUPAC 名称
- methyl (2E,7E)-9-acetyloxy-10-(3-acetyloxy-2-hydroxy-2-methylbutanoyl)oxy-3-methyl-12-methylidene-13-oxo-5,14-dioxatricyclo[9.3.0.04,6]tetradeca-2,7-diene-8-carboxylate
分子属性
- 分子式
- C25H30O12
- 分子量
- 522.5 g/mol
- 精确质量
- 522.17372639 Da
- 单同位素质量
- 522.17372639 Da
- XLogP
- 0.2
- 极性表面积
- 164 Ų
- 氢键供体
- 1
- 氢键受体
- 12
- 可旋转键
- 10
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 1090
结构标识
- InChIKey
- MMVDOOAKJHDAMB-BPNXTJCCSA-N
- SMILES
- C/C/1=C\C2C(C(C(/C(=C\C3C1O3)/C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2
- InChI
- InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+