(3R,7R)-7-oxidanyl-3-phenylmethoxy-1-(4-phenylmethoxyphenyl)icosan-5-one

Systemtic Name: (3R,7R)-7-oxidanyl-3-phenylmethoxy-1-(4-phenylmethoxyphenyl)icosan-5-one Openeye Name: (3R,7R)-3-benzyloxy-1-(4-benzyloxyphenyl)-7-hydroxy-icosan-5-one CAS Name: (3R,7R)-7-hydroxy-3-phenylmethoxy-1-(4-phenylmethoxyphenyl)-5-eicosanone IUPAC Name: (3R,7R)-7-hydroxy-3-phenylmethoxy-1-(4-phenylmethoxyphenyl)icosan-5-one Traditional Name: (3R,7R)-3-benzoxy-1-(4-benzoxyphenyl)-7-hydroxy-eicosan-5-one Formula: C40H56O4 MolecularWeight: 600.87024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)CC(CCC1=CC=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCC[C@H](CC(=O)C[C@@H](CCC1=CC=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C40H56O4/c1-2-3-4-5-6-7-8-9-10-11-18-23-37(41)30-38(42)31-40(44-33-36-21-16-13-17-22-36)29-26-34-24-27-39(28-25-34)43-32-35-19-14-12-15-20-35/h12-17,19-22,24-25,27-28,37,40-41H,2-11,18,23,26,29-33H2,1H3/t37-,40-/m1/s1