methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate · CAS 52992-82-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
- CAS
- 52992-82-2
- CID
- 154359
- IUPAC 名称
- methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
- CAS
- 52992-82-2
- CID
- 154359
- IUPAC 名称
- methyl (1S,4aR,5S,8aR)-5-(5-acetyloxy-3-methylpent-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
分子属性
- 分子式
- C22H34O4
- 分子量
- 362.5 g/mol
- 精确质量
- 362.24570956 Da
- 单同位素质量
- 362.24570956 Da
- XLogP
- 5.1
- 极性表面积
- 52.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 8
- 重原子数
- 26
- 净电荷
- 0
- 结构复杂度
- 577
结构标识
- InChIKey
- MGQMYSVCEMGOPL-KEZQHZCBSA-N
- SMILES
- CC(=CCOC(=O)C)CC[C@H]1C(=C)CC[C@H]2[C@]1(CCC[C@@H]2C(=O)OC)C
- InChI
- InChI=1S/C22H34O4/c1-15(12-14-26-17(3)23)8-10-19-16(2)9-11-20-18(21(24)25-5)7-6-13-22(19,20)4/h12,18-20H,2,6-11,13-14H2,1,3-5H3/t18-,19-,20+,22-/m0/s1