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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: (6-ethyl-7-hydroxy-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 (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C24H28O6 MolecularWeight: 412.47552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)O

InChI

InChI=1S/C24H28O6/c1-2-16-4-18-17(5-21(26)30-20(18)6-19(16)25)12-29-22(27)11-23-7-14-3-15(8-23)10-24(28,9-14)13-23/h4-6,14-15,25,28H,2-3,7-13H2,1H3/t14-,15+,23?,24?