(3S,5R)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)heptane-3,5-diol

Systemtic Name: (3S,5R)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)heptane-3,5-diol Openeye Name: (3S,5R)-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol CAS Name: (3S,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol IUPAC Name: (3S,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol Traditional Name: (3S,5R)-1,7-bis(4-hydroxy-3-methoxy-phenyl)heptane-3,5-diol Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC[C@H](C[C@H](CCC2=CC(=C(C=C2)O)OC)O)O)O

InChI

InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17+