(3aR,4R,5R,6aS)-4-((3S,5S,E)-5-Methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-4-((3S,5S,E)-5-Methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one · CAS 101849-78-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3aR,4R,5R,6aS)-4-((3S,5S,E)-5-Methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
- CAS
- 101849-78-9
- CID
- 70700520
- IUPAC 名称
- (3aR,4R,5R,6aS)-4-[(3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3aR,4R,5R,6aS)-4-((3S,5S,E)-5-Methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
- CAS
- 101849-78-9
- CID
- 70700520
- IUPAC 名称
- (3aR,4R,5R,6aS)-4-[(3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
分子属性
- 分子式
- C27H44O6
- 分子量
- 464.6 g/mol
- 精确质量
- 464.31378912 Da
- 单同位素质量
- 464.31378912 Da
- XLogP
- 5.7
- 极性表面积
- 63.2 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 11
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 636
结构标识
- InChIKey
- SPXMZDMVHVZZPR-DSBASMTGSA-N
- SMILES
- CCCC[C@H](C)C[C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3)OC4CCCCO4
- InChI
- InChI=1S/C27H44O6/c1-3-4-9-19(2)16-20(31-26-10-5-7-14-29-26)12-13-21-22-17-25(28)32-24(22)18-23(21)33-27-11-6-8-15-30-27/h12-13,19-24,26-27H,3-11,14-18H2,1-2H3/t19-,20+,21+,22+,23+,24-,26?,27?/m0/s1