(3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate
(3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate · CAS 108657-10-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate
- CAS
- 108657-10-9
- CID
- 71477510
- IUPAC 名称
- [(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-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
- (3aR,4R,6E,9S,10E,11aR)-9-Hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl (E)-4-hydroxy-2-methylbut-2-enoate
- CAS
- 108657-10-9
- CID
- 71477510
- IUPAC 名称
- [(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
分子属性
- 分子式
- C20H26O6
- 分子量
- 362.4 g/mol
- 精确质量
- 362.17293854 Da
- 单同位素质量
- 362.17293854 Da
- XLogP
- 1.3
- 极性表面积
- 93.1 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 684
结构标识
- InChIKey
- APOGLVUGPAVNAP-MUNFFKKQSA-N
- SMILES
- C/C/1=C\C[C@@H](/C(=C/[C@@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2)/C)O
- InChI
- InChI=1S/C20H26O6/c1-11-5-6-15(22)13(3)10-17-18(14(4)20(24)26-17)16(9-11)25-19(23)12(2)7-8-21/h5,7,10,15-18,21-22H,4,6,8-9H2,1-3H3/b11-5+,12-7+,13-10+/t15-,16+,17+,18+/m0/s1