Methylrhodomelol
6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Also Known As: Methylrhodomelol|Methyl rhodomelol|From red alga Polysiphonia lanosa|6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one|(3S,3aR,6S,6aS)-6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo(3,2-b)furan-5-one|(3S,3aR,6S,6aS)-6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one|3-[(2,3-Dibromo-4,5-dihydroxyphenyl)methyl]-3a,6-dihydroxy-3-methoxytetrahydrofuro[3,2-b]furan-2(3H)-one|6-((2,3-dibromo-4,5-dihydroxyphenyl)methyl)-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo(3,2-b)furan-5-one|6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
| Molecular Formula | C14H14Br2O8 |
|---|---|
| Molecular Weight | 467.90555 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.90555 |
| Monoisotopic Mass | 467.90555 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 100676-08-2 |
|---|---|
| SMILES | COC1(C(=O)OC2C1(OCC2O)O)CC3=CC(=C(C(=C3Br)Br)O)O |
| InChIKey | QUEJCPPCMOGGFC-UHFFFAOYSA-N |
Product Overview
Methylrhodomelol (CAS 100676-08-2), with molecular formula C14H14Br2O8 and molecular weight 467.90555 g/mol. IUPAC: 6-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-3,6a-dihydroxy-6-methoxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one.