[(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
[(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate · CAS 1402067-84-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
- CAS
- 1402067-84-8
- CID
- 71477365
- IUPAC 名称
- [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-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,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
- CAS
- 1402067-84-8
- CID
- 71477365
- IUPAC 名称
- [(3aR,4R,6Z,9R,10Z,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-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
- C24H30O9
- 分子量
- 462.5 g/mol
- 精确质量
- 462.18898253 Da
- 单同位素质量
- 462.18898253 Da
- XLogP
- 1.2
- 极性表面积
- 125 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 909
结构标识
- InChIKey
- HPWMABTYJYZFLK-QSNTWNIGSA-N
- SMILES
- C/C/1=C/[C@@H]2[C@@H]([C@@H](C/C(=C/C[C@H]1OC(=O)C)/COC(=O)C)OC(=O)/C(=C/CO)/C)C(=C)C(=O)O2
- InChI
- InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10-,18-6-/t19-,20-,21-,22+/m1/s1