ethyl (E,4R,5R)-4-[(3,4-dimethoxyphenyl)methoxy]-5-oxidanyl-heptadec-2-enoate

Systemtic Name: ethyl (E,4R,5R)-4-[(3,4-dimethoxyphenyl)methoxy]-5-oxidanyl-heptadec-2-enoate Openeye Name: ethyl (E,4R,5R)-4-[(3,4-dimethoxyphenyl)methoxy]-5-hydroxy-heptadec-2-enoate CAS Name: (E,4R,5R)-4-[(3,4-dimethoxyphenyl)methoxy]-5-hydroxy-2-heptadecenoic acid ethyl ester IUPAC Name: ethyl (E,4R,5R)-4-[(3,4-dimethoxyphenyl)methoxy]-5-hydroxyheptadec-2-enoate Traditional Name: (E,4R,5R)-5-hydroxy-4-veratryloxy-heptadec-2-enoic acid ethyl ester Formula: C28H46O6 MolecularWeight: 478.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(C=CC(=O)OCC)OCC1=CC(=C(C=C1)OC)OC)O

Isomeric SMILES

CCCCCCCCCCCC[C@H]([C@@H](/C=C/C(=O)OCC)OCC1=CC(=C(C=C1)OC)OC)O

InChI

InChI=1S/C28H46O6/c1-5-7-8-9-10-11-12-13-14-15-16-24(29)25(19-20-28(30)33-6-2)34-22-23-17-18-26(31-3)27(21-23)32-4/h17-21,24-25,29H,5-16,22H2,1-4H3/b20-19+/t24-,25-/m1/s1