[9-Acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
[9-Acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate · CAS 1000865-06-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [9-Acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
- CAS
- 1000865-06-4
- CID
- 74070818
- IUPAC 名称
- [9-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [9-Acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
- CAS
- 1000865-06-4
- CID
- 74070818
- IUPAC 名称
- [9-acetyloxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-hydroxy-2-methylbut-2-enoate
分子属性
- 分子式
- C22H28O8
- 分子量
- 420.5 g/mol
- 精确质量
- 420.17841785 Da
- 单同位素质量
- 420.17841785 Da
- XLogP
- 0.6
- 极性表面积
- 119 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 804
结构标识
- InChIKey
- INXZZSZBRLXKNT-UHFFFAOYSA-N
- SMILES
- CC1=CC2C(C(CC(=CCC1OC(=O)C)CO)OC(=O)C(=CCO)C)C(=C)C(=O)O2
- InChI
- InChI=1S/C22H28O8/c1-12(7-8-23)21(26)29-19-10-16(11-24)5-6-17(28-15(4)25)13(2)9-18-20(19)14(3)22(27)30-18/h5,7,9,17-20,23-24H,3,6,8,10-11H2,1-2,4H3