methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate
methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate · CAS 76475-17-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate
- CAS
- 76475-17-7
- CID
- 102004893
- IUPAC 名称
- methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate
- CAS
- 76475-17-7
- CID
- 102004893
- IUPAC 名称
- methyl (1S,6S,8S,9R)-6-(furan-3-yl)-16-methylidene-2-oxo-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadec-12-ene-13-carboxylate
分子属性
- 分子式
- C21H22O6
- 分子量
- 370.4 g/mol
- 精确质量
- 370.14163842 Da
- 单同位素质量
- 370.14163842 Da
- XLogP
- 2.6
- 极性表面积
- 75 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子数
- 27
- 净电荷
- 0
- 结构复杂度
- 741
结构标识
- InChIKey
- FFWVQGRKTCTNRG-SGCDBVAWSA-N
- SMILES
- COC(=O)C1=CCC[C@H]2[C@@]13CCC(=C)[C@]24C[C@H](OC4OC3=O)C5=COC=C5
- InChI
- InChI=1S/C21H22O6/c1-12-6-8-20-14(17(22)24-2)4-3-5-16(20)21(12)10-15(13-7-9-25-11-13)26-19(21)27-18(20)23/h4,7,9,11,15-16,19H,1,3,5-6,8,10H2,2H3/t15-,16-,19?,20+,21+/m0/s1