(3S,4aR,8aS)-6,7-dimethyl-3-phenylmethoxy-4a,5,8,8a-tetrahydro-1H-isochromen-4-one

Systemtic Name: (3S,4aR,8aS)-6,7-dimethyl-3-phenylmethoxy-4a,5,8,8a-tetrahydro-1H-isochromen-4-one Openeye Name: (3S,4aR,8aS)-3-benzyloxy-6,7-dimethyl-4a,5,8,8a-tetrahydro-1H-isochromen-4-one CAS Name: (3S,4aR,8aS)-6,7-dimethyl-3-phenylmethoxy-4a,5,8,8a-tetrahydro-1H-2-benzopyran-4-one IUPAC Name: (3S,4aR,8aS)-6,7-dimethyl-3-phenylmethoxy-4a,5,8,8a-tetrahydro-1H-isochromen-4-one Traditional Name: (3S,4aR,8aS)-3-benzoxy-6,7-dimethyl-4a,5,8,8a-tetrahydro-1H-isochromen-4-one Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)COC(C2=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C[C@@H]2[C@H](C1)CO[C@H](C2=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C18H22O3/c1-12-8-15-11-21-18(17(19)16(15)9-13(12)2)20-10-14-6-4-3-5-7-14/h3-7,15-16,18H,8-11H2,1-2H3/t15-,16-,18-/m1/s1