(2S)-2-Methylbutanoic Acid (1S,6R,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
(2S)-2-Methylbutanoic Acid (1S,6R,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester · CAS 85798-96-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S)-2-Methylbutanoic Acid (1S,6R,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
- CAS
- 85798-96-5
- CID
- 135102
- IUPAC 名称
- [6-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S)-2-Methylbutanoic Acid (1S,6R,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester
- CAS
- 85798-96-5
- CID
- 135102
- IUPAC 名称
- [6-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 2 个编号（PubChem CID 135102）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
分子属性
- 分子式
- C23H34O6
- 分子量
- 406.5 g/mol
- 精确质量
- 406.2355388 Da
- 单同位素质量
- 406.2355388 Da
- XLogP
- 2.5
- 极性表面积
- 93.1 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子数
- 29
- 净电荷
- 0
- 结构复杂度
- 668
结构标识
- InChIKey
- JCXABYACWXHFQQ-UHFFFAOYSA-N
- SMILES
- CCC(C)C(=O)OC1CC=CC2=CC(C(C(C12)CCC3CC(CC(=O)O3)O)C)O
- InChI
- InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-7-5-6-15-10-19(25)14(3)18(22(15)20)9-8-17-11-16(24)12-21(26)28-17/h5-6,10,13-14,16-20,22,24-25H,4,7-9,11-12H2,1-3H3