Chemical Component Summary

Name(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol
Synonyms(2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol
Identifiers(2S)-3-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenoxy]propane-1,2-diol
FormulaC28 H42 O5
Molecular Weight458.63
TypeNON-POLYMER
Isomeric SMILESCCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O
InChIInChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
InChIKeyAIKLCYAFOOBGEV-OZXSUGGESA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count2
Bond Count76
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL272304
PubChem 24936209
ChEMBL CHEMBL272304