(3S)-2,2-dimethyl-5-oxidanyl-3-[(1R)-1-oxidanyl-4-oxidanylidene-pentyl]-7-pentyl-3H-chromen-4-one

Systemtic Name: (3S)-2,2-dimethyl-5-oxidanyl-3-[(1R)-1-oxidanyl-4-oxidanylidene-pentyl]-7-pentyl-3H-chromen-4-one Openeye Name: (3S)-5-hydroxy-3-[(1R)-1-hydroxy-4-oxo-pentyl]-2,2-dimethyl-7-pentyl-chroman-4-one CAS Name: (3S)-5-hydroxy-3-[(1R)-1-hydroxy-4-oxopentyl]-2,2-dimethyl-7-pentyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-5-hydroxy-3-[(1R)-1-hydroxy-4-oxopentyl]-2,2-dimethyl-7-pentyl-3H-chromen-4-one Traditional Name: (3S)-7-amyl-5-hydroxy-3-[(1R)-1-hydroxy-4-keto-pentyl]-2,2-dimethyl-chroman-4-one Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)O)C(=O)C(C(O2)(C)C)C(CCC(=O)C)O

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)O)C(=O)[C@H](C(O2)(C)C)[C@@H](CCC(=O)C)O

InChI

InChI=1S/C21H30O5/c1-5-6-7-8-14-11-16(24)18-17(12-14)26-21(3,4)19(20(18)25)15(23)10-9-13(2)22/h11-12,15,19,23-24H,5-10H2,1-4H3/t15-,19-/m1/s1