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 (CAS 40695-33-8) — formula C31H25F3O6, molecular weight 550.5; category organic chemicals.
| CAS Number | 40695-33-8 |
|---|---|
| Molecular Formula | C31H25F3O6 |
| Molecular Weight | 550.5 |
| LogP | 6.3 |
| Category | Organic Chemicals |
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 is a carbon-based organic compound with CAS registry number 40695-33-8 and molecular formula C31H25F3O6 (molecular weight 550.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40695-33-8
Its molecular formula C31H25F3O6 comprises 31 C, 25 H, 3 F, 6 O atoms.
Also known as: 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 · (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
Category: organic chemicals
The CAS registry number of 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 is 40695-33-8.
Molecular formula C31H25F3O6, molecular weight 550.5.
It is also registered under: 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, (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.
Category: Organic Chemicals.
Independent reference data for 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 (CAS 40695-33-8), compiled from public chemistry databases.
| CAS 号 | 40695-33-8 |
|---|---|
| PubChem CID | 68163145 |
| 分子式 | C31H25F3O6 |
| IUPAC 名称 | [2-oxo-4-[3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate |
| Molecular Weight | 550.5 |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 550.16032300 |
| Monoisotopic Mass | 550.16032300 |
| Topological Polar Surface Area | 78.9 |
| Heavy Atom Count | 40 |
122921-57-7; SCHEMBL11909545; DTXSID00738114; DB-290392
(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 · CAS 40695-33-8 · C31H25F3O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (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