(5S)-3-[(2E,4E,6E,8E,10E)-11-[(2S,3R,3aR,5R,6aR)-Hexahydro-3-hydroxy-5-methylfuro[3,2-b]furan-2-yl]-1-oxo-2,4,6,8,10-undecapentaen-1-yl]-1,5-dihydro-4-hydroxy-1-methyl-5-(1-methylethyl)-2H-pyrrol-2-one
(5S)-3-[(2E,4E,6E,8E,10E)-11-[(2S,3R,3aR,5R,6aR)-Hexahydro-3-hydroxy-5-methylfuro[3,2-b]furan-2-yl]-1-oxo-2,4,6,8,10-undecapentaen-1-yl]-1,5-dihydro-4-hydroxy-1-methyl-5-(1-methylethyl)-2H-pyrrol-2-one · CAS 4987-27-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (5S)-3-[(2E,4E,6E,8E,10E)-11-[(2S,3R,3aR,5R,6aR)-Hexahydro-3-hydroxy-5-methylfuro[3,2-b]furan-2-yl]-1-oxo-2,4,6,8,10-undecapentaen-1-yl]-1,5-dihydro-4-hydroxy-1-methyl-5-(1-methylethyl)-2H-pyrrol-2-one
- CAS
- 4987-27-3
- CID
- 54683685
- IUPAC 名称
- (3E)-3-[1-hydroxy-11-(6-hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (5S)-3-[(2E,4E,6E,8E,10E)-11-[(2S,3R,3aR,5R,6aR)-Hexahydro-3-hydroxy-5-methylfuro[3,2-b]furan-2-yl]-1-oxo-2,4,6,8,10-undecapentaen-1-yl]-1,5-dihydro-4-hydroxy-1-methyl-5-(1-methylethyl)-2H-pyrrol-2-one
- CAS
- 4987-27-3
- CID
- 54683685
- IUPAC 名称
- (3E)-3-[1-hydroxy-11-(6-hydroxy-2-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl)undeca-2,4,6,8,10-pentaenylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
分子属性
- 分子式
- C26H33NO6
- 分子量
- 455.5 g/mol
- 精确质量
- 455.23078777 Da
- 单同位素质量
- 455.23078777 Da
- XLogP
- 3.9
- 极性表面积
- 96.3 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 925
结构标识
- InChIKey
- JPNNNEKRFYTZIM-HWOKNOOJSA-N
- SMILES
- CC1CC2C(O1)C(C(O2)C=CC=CC=CC=CC=C/C(=C\3/C(=O)C(N(C3=O)C)C(C)C)/O)O
- InChI
- InChI=1S/C26H33NO6/c1-16(2)22-24(30)21(26(31)27(22)4)18(28)13-11-9-7-5-6-8-10-12-14-19-23(29)25-20(33-19)15-17(3)32-25/h5-14,16-17,19-20,22-23,25,28-29H,15H2,1-4H3/b6-5?,9-7?,10-8?,13-11?,14-12?,21-18+