(5S,7R)-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]-5-oxidanyl-icosan-3-one

Systemtic Name: (5S,7R)-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]-5-oxidanyl-icosan-3-one Openeye Name: (5S,7R)-5-hydroxy-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]icosan-3-one CAS Name: (5S,7R)-5-hydroxy-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]-3-eicosanone IUPAC Name: (5S,7R)-5-hydroxy-1-(4-hydroxyphenyl)-7-[(4-methoxyphenyl)methoxy]icosan-3-one Traditional Name: (5S,7R)-5-hydroxy-1-(4-hydroxyphenyl)-7-p-anisyloxy-eicosan-3-one Formula: C34H52O5 MolecularWeight: 540.77368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(CC(=O)CCC1=CC=C(C=C1)O)O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C34H52O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-34(39-27-29-18-23-33(38-2)24-19-29)26-32(37)25-31(36)22-17-28-15-20-30(35)21-16-28/h15-16,18-21,23-24,32,34-35,37H,3-14,17,22,25-27H2,1-2H3/t32-,34-/m1/s1