6-Epiangustifolin
(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione
Also Known As: 6-Epiangustifolin|6-epi-Augustifolin|6-epi-Angustifolin|TN3164|FS-7622|J1.968.336B|(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione|(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidene-hexahydro-1H-3'-oxaspiro[2-benzofuran-4,5'-tricyclo[7.2.1.01,6]dodecane]-2',11'-dione|(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro(1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo(7.2.1.01,6)dodecane)-2',11'-dione|(1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzouran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione|6beta-Methoxy-11alpha,20-dihydroxy-15-oxo-6,18-epoxy-6,7-secokaura-16-ene-7-oic acid 7,20-lactone
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.1886 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.1886 |
| Monoisotopic Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 369390-94-3 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]3([C@@H]1[C@@H](OC2)OC)COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O |
| InChIKey | OCIBRRBOOBNKJY-YHDMYULQSA-N |
Product Overview
6-Epiangustifolin (CAS 369390-94-3), with molecular formula C21H28O6 and molecular weight 376.1886 g/mol. IUPAC: (1'S,3R,3aR,4R,6'S,7'R,7aR,9'S)-7'-hydroxy-3-methoxy-7a-methyl-10'-methylidenespiro[1,3,3a,5,6,7-hexahydro-2-benzofuran-4,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-2',11'-dione.