(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C23H26O6 MolecularWeight: 398.44894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H26O6/c1-27-17-2-3-18-16(5-20(24)29-19(18)6-17)12-28-21(25)11-22-7-14-4-15(8-22)10-23(26,9-14)13-22/h2-3,5-6,14-15,26H,4,7-13H2,1H3/t14-,15+,22?,23?