[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS 41639-72-9) — formula C31H28O5, molecular weight 480.5; category organic chemicals.
| CAS Number | 41639-72-9 |
|---|---|
| Molecular Formula | C31H28O5 |
| Molecular Weight | 480.5 |
| LogP | 5.6 |
| Category | Organic Chemicals |
[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester is a carbon-based organic compound with CAS registry number 41639-72-9 and molecular formula C31H28O5 (molecular weight 480.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 41639-72-9
Its molecular formula C31H28O5 comprises 31 C, 28 H, 5 O atoms.
Also known as: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester · 1,1'-联苯]-4-羧酸,(3aR,4R,5R,6aS)-六氢-2-氧代-4-[(1E)-3-氧代-5-苯基-1-戊烯-1-基]-2H-环戊并[b]呋喃-5-基酯(...)
Category: organic chemicals
The CAS registry number of [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester is 41639-72-9.
Molecular formula C31H28O5, molecular weight 480.5.
It is also registered under: [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester, 1,1'-联苯]-4-羧酸,(3aR,4R,5R,6aS)-六氢-2-氧代-4-[(1E)-3-氧代-5-苯基-1-戊烯-1-基]-2H-环戊并[b]呋喃-5-基酯(...).
Category: Organic Chemicals.
Independent reference data for [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-5-yl ester (CAS 41639-72-9), compiled from public chemistry databases.
| CAS 号 | 41639-72-9 |
|---|---|
| PubChem CID | 10005375 |
| 分子式 | C31H28O5 |
| IUPAC 名称 | [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-phenylpent-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate |
| UNII（FDA） | RMZ7K7FQT8 |
| Molecular Weight | 480.5 |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 480.19367399 |
| Monoisotopic Mass | 480.19367399 |
| Topological Polar Surface Area | 69.7 |
| Heavy Atom Count | 36 |
41639-72-9; (1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-((4-phenylbenzoyl)oxy)-2-oxabicyclo(3.3.0)octan-3-one; (1S,5R,6R,7R)-6-(3-oxo-5-phenyl-1E-pentenyl)-7-[(4-phenylbenzoyl)oxy]-2-oxabicyclo[3.3.0]octan-3-one; RefChem:394227; 682-023-1; IKVNJBXCGFXOJM-FRYMLLMQSA-N; RMZ7K7FQT8; SCHEMBL1364975; WLZ3884; AKOS015896655; AC-24762; DB-225305; (3aR,4R,5R,6aS)-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(4-phenylbenzoyloxy)-hexahydro-2H-cyclopenta[b]furan-2-one; (3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenyl-benzoyloxy)-2H-cyclopenta[b]furan-2-one; (3aR,4R,5R,6aS)-hexahydro-4-(3-oxo-5-phenyl-1E-pentenyl)-5-(p-phenylbenzoyloxy)-2H-cyclopenta[b]furan-2-one
| 已通报的危害声明 | H319 (100%) |
|---|
1,1'-联苯]-4-羧酸,(3aR,4R,5R,6aS)-六氢-2-氧代-4-[(1E)-3-氧代-5-苯基-1-戊烯-1-基]-2H-环戊并[b]呋喃-5-基酯(...) · CAS 41639-72-9 · C31H28O5. UNII RMZ7K7FQT8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1,1'-联苯]-4-羧酸,(3aR,4R,5R,6aS)-六氢-2-氧代-4-[(1E)-3-氧代-5-苯基-1-戊烯-1-基]-2H-环戊并[b]呋喃-5-基酯(...)