Agrostophyllin
5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol
Also Known As: Agrostophyllin|2,6-Dimethoxy-5H-phenanthro[4,5-bcd]pyran-7-ol|5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol
CAS: 116174-99-3
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.0892 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0892 |
| Monoisotopic Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 116174-99-3 |
|---|---|
| SMILES | COC1=CC2=C3C(=C1)C=CC4=CC(=C(C(=C43)CO2)OC)O |
| InChIKey | JUXGBQIIXCBKIW-UHFFFAOYSA-N |
Product Overview
Agrostophyllin (CAS 116174-99-3), with molecular formula C17H14O4 and molecular weight 282.0892 g/mol. IUPAC: 5,13-dimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,9,11,13-heptaen-6-ol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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