Chemical Component Summary

Name(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol
Identifiers(2S)-3-[4-[2-[4-[(2R)-3,3-dimethyl-2-oxidanyl-butoxy]-3-methyl-phenyl]propan-2-yl]-2-methyl-phenoxy]propane-1,2-diol
FormulaC26 H38 O5
Molecular Weight430.577
TypeNON-POLYMER
Isomeric SMILESCc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O
InChIInChI=1S/C26H38O5/c1-17-12-19(8-10-22(17)30-15-21(28)14-27)26(6,7)20-9-11-23(18(2)13-20)31-16-24(29)25(3,4)5/h8-13,21,24,27-29H,14-16H2,1-7H3/t21-,24-/m0/s1
InChIKeyQOQDEYISGNGHKZ-URXFXBBRSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count70
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 71737798