(3S,6R)-2-methyl-6-[4-methyl-2,5-bis(phenylmethoxy)phenyl]heptane-2,3-diol

Systemtic Name: (3S,6R)-2-methyl-6-[4-methyl-2,5-bis(phenylmethoxy)phenyl]heptane-2,3-diol Openeye Name: (3S,6R)-6-(2,5-dibenzyloxy-4-methyl-phenyl)-2-methyl-heptane-2,3-diol CAS Name: (3S,6R)-2-methyl-6-[4-methyl-2,5-bis(phenylmethoxy)phenyl]heptane-2,3-diol IUPAC Name: (3S,6R)-2-methyl-6-[4-methyl-2,5-bis(phenylmethoxy)phenyl]heptane-2,3-diol Traditional Name: (3S,6R)-6-(2,5-dibenzoxy-4-methyl-phenyl)-2-methyl-heptane-2,3-diol Formula: C29H36O4 MolecularWeight: 448.59374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC2=CC=CC=C2)C(C)CCC(C(C)(C)O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1OCC2=CC=CC=C2)[C@H](C)CC[C@@H](C(C)(C)O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36O4/c1-21(15-16-28(30)29(3,4)31)25-18-26(32-19-23-11-7-5-8-12-23)22(2)17-27(25)33-20-24-13-9-6-10-14-24/h5-14,17-18,21,28,30-31H,15-16,19-20H2,1-4H3/t21-,28+/m1/s1