[(3aR,4S,5S,6E,10Z,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
[(3aR,4S,5S,6E,10Z,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate · CAS 72548-16-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(3aR,4S,5S,6E,10Z,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
- CAS
- 72548-16-4
- CID
- 6183153
- IUPAC 名称
- [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(3aR,4S,5S,6E,10Z,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
- CAS
- 72548-16-4
- CID
- 6183153
- IUPAC 名称
- [(6E,10E)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate
分子属性
- 分子式
- C19H24O6
- 分子量
- 348.4 g/mol
- 精确质量
- 348.15728848 Da
- 单同位素质量
- 348.15728848 Da
- XLogP
- 1.6
- 极性表面积
- 89.9 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 642
结构标识
- InChIKey
- MWYCMNPDBWRCKB-JWCOLNTHSA-N
- SMILES
- C/C/1=C\C2C(C(C(/C(=C\CC1)/C=O)OC(=O)C(C)C)O)C(=C)C(=O)O2
- InChI
- InChI=1S/C19H24O6/c1-10(2)18(22)25-17-13(9-20)7-5-6-11(3)8-14-15(16(17)21)12(4)19(23)24-14/h7-10,14-17,21H,4-6H2,1-3H3/b11-8+,13-7-