(1R,3S,4R,6S)-2-(tert-butylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol

Systemtic Name: (1R,3S,4R,6S)-2-(tert-butylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol Openeye Name: (1R,3S,4R,6S)-4,5,6-tribenzyloxy-2-(tert-butylamino)cyclohexane-1,3-diol CAS Name: (1R,3S,4R,6S)-2-(tert-butylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol IUPAC Name: (1R,3S,4R,6S)-2-(tert-butylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol Traditional Name: (1R,3S,4R,6S)-4,5,6-tribenzoxy-2-(tert-butylamino)cyclohexane-1,3-diol Formula: C31H39NO5 MolecularWeight: 505.64506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1C(C(C(C(C1O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)NC1[C@@H]([C@H](C([C@H]([C@@H]1O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C31H39NO5/c1-31(2,3)32-25-26(33)28(35-19-22-13-7-4-8-14-22)30(37-21-24-17-11-6-12-18-24)29(27(25)34)36-20-23-15-9-5-10-16-23/h4-18,25-30,32-34H,19-21H2,1-3H3/t25?,26-,27+,28+,29-,30?