1-adamantyl 3-[(2S)-6-oxidanylidene-3,3-diphenyl-oxan-2-yl]propanoate

Systemtic Name: 1-adamantyl 3-[(2S)-6-oxidanylidene-3,3-diphenyl-oxan-2-yl]propanoate Openeye Name: 1-adamantyl 3-[(2S)-6-oxo-3,3-diphenyl-tetrahydropyran-2-yl]propanoate CAS Name: 3-[(2S)-6-oxo-3,3-diphenyl-2-oxanyl]propanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 3-[(2S)-6-oxo-3,3-diphenyloxan-2-yl]propanoate Traditional Name: 3-[(2S)-6-keto-3,3-diphenyl-tetrahydropyran-2-yl]propionic acid 1-adamantyl ester Formula: C30H34O4 MolecularWeight: 458.58856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC1=O)CCC(=O)OC23CC4CC(C2)CC(C4)C3)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC([C@@H](OC1=O)CCC(=O)OC23CC4CC(C2)CC(C4)C3)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H34O4/c31-27-13-14-30(24-7-3-1-4-8-24,25-9-5-2-6-10-25)26(33-27)11-12-28(32)34-29-18-21-15-22(19-29)17-23(16-21)20-29/h1-10,21-23,26H,11-20H2/t21?,22?,23?,26-,29?/m0/s1