Temporary LOTUS id | LTS0003399 |
Name | Methyl (2s,4as,6ar,9r,10as,10bs)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate |
Canonical SMILES | COC(=O)C1=C[C@H](O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C |
2D SMILES | COC(=O)C1=CC(O)CC2C1(C)CCC1C(=O)OC(c3ccoc3)CC12C |
IUPAC name | methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate |
InChI | InChI=1S/C21H26O6/c1-20-6-4-14-19(24)27-16(12-5-7-26-11-12)10-21(14,2)17(20)9-13(22)8-15(20)18(23)25-3/h5,7-8,11,13-14,16-17,22H,4,6,9-10H2,1-3H3/t13-,14+,16-,17+,20-,21+/m0/s1 |
InChIKey | OEIVLTVYSSPDHE-JHFVOUROSA-N |
Deep SMILES | could not be computed |
Murcko Framework | o1ccc(c1)C2OCC3CCC4C=CCCC4C3C2 |