(3S,9S,9aS)-9-methyl-9-oxidanyl-3-(phenylmethyl)-9aH-xanthene-3-carbaldehyde

Systemtic Name: (3S,9S,9aS)-9-methyl-9-oxidanyl-3-(phenylmethyl)-9aH-xanthene-3-carbaldehyde Openeye Name: (3S,9S,9aS)-3-benzyl-9-hydroxy-9-methyl-9aH-xanthene-3-carbaldehyde CAS Name: (3S,9S,9aS)-9-hydroxy-9-methyl-3-(phenylmethyl)-9aH-xanthene-3-carboxaldehyde IUPAC Name: (3S,9S,9aS)-3-benzyl-9-hydroxy-9-methyl-9aH-xanthene-3-carbaldehyde Traditional Name: (3S,9S,9aS)-3-benzyl-9-hydroxy-9-methyl-9aH-xanthene-3-carbaldehyde Formula: C22H20O3 MolecularWeight: 332.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C=CC(C=C2OC3=CC=CC=C31)(CC4=CC=CC=C4)C=O)O

Isomeric SMILES

C[C@@]1([C@@H]2C=C[C@](C=C2OC3=CC=CC=C31)(CC4=CC=CC=C4)C=O)O

InChI

InChI=1S/C22H20O3/c1-21(24)17-9-5-6-10-19(17)25-20-14-22(15-23,12-11-18(20)21)13-16-7-3-2-4-8-16/h2-12,14-15,18,24H,13H2,1H3/t18-,21-,22-/m1/s1