[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate · CAS 96850-21-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
- CAS
- 96850-21-4
- CID
- 13994634
- IUPAC 名称
- [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-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,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
- CAS
- 96850-21-4
- CID
- 13994634
- IUPAC 名称
- [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
分子属性
- 分子式
- C20H26O4
- 分子量
- 330.4 g/mol
- 精确质量
- 330.18310931 Da
- 单同位素质量
- 330.18310931 Da
- XLogP
- 3.6
- 极性表面积
- 52.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子数
- 24
- 净电荷
- 0
- 结构复杂度
- 636
结构标识
- InChIKey
- HXMMJGIMTCOROX-ILWTVLBZSA-N
- SMILES
- C/C=C(\C)/C(=O)O[C@@H]1C/C(=C/CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C
- InChI
- InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8+,13-11+,14-6+/t16-,17-,18-/m1/s1