![2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E,3S)-3-hydroxy-5-phenyl-1-pentenyl]-, (3aR,4R,5R,6aS)- structure, CAS 55444-68-3](/structures/210000/180447_2_55444_68_3.png)
CAS Number55444-68-3
SynonymsExact Mass 406.178009; PSA 72.83000; LogP 3.62; Index of Refraction 1.612; InChIKey GWKXXTFDNXEANF-ONKQBBKDSA-N; Synthetic Route; [(3aR,4R,5R,6aS...; CAS#:55076-60-3; ~%; (3AR,4R,5R,6AS)...; CAS#:55444-68-3; benzoic acid (3...; CAS#:55516-35-3; Literature: SANDOZ AG Patent: EP2143712 A1, 2010 ; Location in patent: Page/Page column 54 ;; Cinnamic acid; CAS#:140-10-3; Precursor & DownStream; Precursor 5; CAS#:103-25-3; Methyl 3-phenyl...; CAS#:41162-19-0; Dimethyl (2-oxo...; DownStream 1; CAS#:41639-74-1; (+)-(3Ar,4R,5R,...; Synonyms
Molecular FormulaC25H26O5
Molecular Weight406.471
Density1.3±0.1 g/cm3
Boiling Point609.9±55.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 55444-68-3 |
| Catalog No. | 2A-2179658 |
| Chinese Name | (3AR,4R,5R,6AS)-4-((S,E)-3-HYDROXY-5-PHENYLPENT-1-EN-1-YL)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL |
| Synonyms | Exact Mass 406.178009; PSA 72.83000; LogP 3.62; Index of Refraction 1.612; InChIKey GWKXXTFDNXEANF-ONKQBBKDSA-N; Synthetic Route; [(3aR,4R,5R,6aS...; CAS#:55076-60-3; ~%; (3AR,4R,5R,6AS)...; CAS#:55444-68-3; benzoic acid (3...; CAS#:55516-35-3; Literature: SANDOZ AG Patent: EP2143712 A1, 2010 ; Location in patent: Page/Page column 54 ;; Cinnamic acid; CAS#:140-10-3; Precursor & DownStream; Precursor 5; CAS#:103-25-3; Methyl 3-phenyl...; CAS#:41162-19-0; Dimethyl (2-oxo...; DownStream 1; CAS#:41639-74-1; (+)-(3Ar,4R,5R,...; Synonyms |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.471 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 609.9±55.0 °C at 760 mmHg |
| PubChem ID | 15199499 |
| SMILES | O=C1CC2C(CC(OC(=O)c3ccccc3)C2C=CC(O)CCc2ccccc2)O1 |
| 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 |
| InChI Key | GWKXXTFDNXEANF-ONKQBBKDSA-N |
| Transport Info | Product name: (3AR,4R,5R,6aS)-4-((S,E)-3-Hydroxy-5-phenylpent-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate |
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