![rel-[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester structure, CAS 40695-33-8](/structures/60000/42633_2_40695_33_8.png)
CAS Number40695-33-8
SynonymsExact Mass 550.160339; PSA 78.90000; LogP 5.53; Index of Refraction 1.604; InChIKey FLEHAOYBYPJWKG-BUHFOSPRSA-N; Synonyms
Molecular FormulaC31H25F3O6
Molecular Weight550.522
Purity98.00%
Density1.4±0.1 g/cm3
Boiling Point699.7±55.0 °C at 760 mmHg
Melting Point128-129ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 40695-33-8 |
| Catalog No. | 2A-9042633 |
| Chinese Name | (3aR,4R,5R,6aS)-六氢-2-氧代-4-[(1E)-3-氧代-4-[3-(三氟甲基)苯氧基]-1-丁烯-1-基]-2H-环戊并[b]呋喃-5-基 rel-[1,1'-联苯]-4-甲酸酯 |
| Synonyms | Exact Mass 550.160339; PSA 78.90000; LogP 5.53; Index of Refraction 1.604; InChIKey FLEHAOYBYPJWKG-BUHFOSPRSA-N; Synonyms |
| Molecular Formula | C31H25F3O6 |
| Molecular Weight | 550.522 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 699.7±55.0 °C at 760 mmHg |
| Melting Point | 128-129ºC |
| PubChem ID | 99373594 |
| SMILES | O=C(C=CC1C(OC(=O)c2ccc(-c3ccccc3)cc2)CC2OC(=O)CC21)COc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C31H25F3O6/c32-31(33,34)22-7-4-8-24(15-22)38-18-23(35)13-14-25-26-16-29(36)39-28(26)17-27(25)40-30(37)21-11-9-20(10-12-21)19-5-2-1-3-6-19/h1-15,25-28H,16-18H2/b14-13+ |
| InChI Key | FLEHAOYBYPJWKG-BUHFOSPRSA-N |
| Transport Info | Product name: (E)-2-Oxo-4-(3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylat |
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