(1S)-1-[(2R,4aS,10bS)-4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-1-[(2R,4aS,10bS)-4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenyl-ethanol Openeye Name: (1S)-1-[(2R,4aS,10bS)-7-benzyloxy-4,4-dimethyl-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenyl-ethanol CAS Name: (1S)-1-[(2R,4aS,10bS)-4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenylethanol IUPAC Name: (1S)-1-[(2R,4aS,10bS)-4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenylethanol Traditional Name: (1S)-1-[(2R,4aS,10bS)-7-benzoxy-4,4-dimethyl-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiin-2-yl]-1-phenyl-ethanol Formula: C29H32O3S MolecularWeight: 460.62758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3=C(C2OC(S1)C(C)(C4=CC=CC=C4)O)C=CC=C3OCC5=CC=CC=C5)C

Isomeric SMILES

CC1([C@H]2CCC3=C([C@H]2O[C@H](S1)[C@](C)(C4=CC=CC=C4)O)C=CC=C3OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H32O3S/c1-28(2)24-18-17-22-23(15-10-16-25(22)31-19-20-11-6-4-7-12-20)26(24)32-27(33-28)29(3,30)21-13-8-5-9-14-21/h4-16,24,26-27,30H,17-19H2,1-3H3/t24-,26+,27+,29-/m0/s1