2H-环戊并[B]呋喃-2-酮,5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...) | 55444-68-3
2H-环戊并[B]呋喃-2-酮,5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...)
(3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
55444-68-3
C25H26O5
406.47094
名称和标识符
InChIKey |
GWKXXTFDNXEANF-ONKQBBKDSA-N |
Inchi |
InChI=1S/C25H26O5/c26-19(12-11-17-7-3-1-4-8-17)13-14-20-21-15-24(27)29-23(21)16-22(20)30-25(28)18-9-5-2-6-10-18/h1-10,13-14,19-23,26H,11-12,15-16H2/b14-13+/t19-,20+,21+,22+,23-/m0/s1 |
SMILES |
C1=CC=C(C=C1)CC[C@@H](/C=C/[C@@H]2[C@H]3CC(=O)O[C@H]3C[C@H]2OC(=O)C4=CC=CC=C4)O |
别名信息
- 中文别名 -
- (3aR,4R,5R,6aS)-5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]- 2H-环戊并[b]呋喃-2-酮
- 2H-环戊并[B]呋喃-2-酮,5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...)
- (3aR,4R,5R,6aS)-5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5-苯基-1-戊烯-1-基]-2H-环戊二烯并[b]呋喃-2-酮
- 英文别名 -
- (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate
- 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)-
- 2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]-, (3aR,4R,5R,6aS)-
- (3aR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benz
- (3aR,4R,5R,6aS)-4-[3S-hydroxy-5-phenyl-1E-pentenyl]-5-(benzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one
- (3aR,4R,5R,6aS)-5-(Benzoyloxy)-4-[(E)-(3S)-3-hydroxy-5-phenyl-1-pentenyl]-hexahydro-2H-cyclopenta[b]furan-2-one
- benzoic acid (3aR,4R,5R,6aS)-4-((E)-(S)-3-hydroxy-5-phenyl-pent-1-enyl)-2-oxo-hexahydro-cyclopenta[b]furan-5-yl ester
物化性质
实验特性
LogP |
3.71350 |
PSA |
72.83000 |
熔点 |
78-81 ºC |
溶解度 |
Insuluble (4.9E-3 g/L) (25 ºC), |
密度 |
1.25±0.1 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
406.17800 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
8 |
重原子数量 |
30 |
2H-环戊并[B]呋喃-2-酮,5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...)推荐生产厂家
与2H-环戊并[B]呋喃-2-酮,5-(苯甲酰氧基)六氢-4-[(1E,3S)-3-羟基-5苯基-1-戊烯-1-基]-,(3AR,4R,5R,6AS)-(...)相关的问答