Chemical Component Summary

Name(2R)-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}butane-1,4-diol
Identifiers(2R)-2-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenoxy]butane-1,4-diol
FormulaC29 H44 O5
Molecular Weight472.657
TypeNON-POLYMER
Isomeric SMILESCCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO
InChIInChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1
InChIKeyDKNLNQKPISQAEP-SQHAQQRYSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count2
Bond Count79
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1834893
PubChem 56603803
ChEMBL CHEMBL1834893