W12

(2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
Identifiers(2S)-3-[4-[4-[4-[(2R)-3,3-dimethyl-2-oxidanyl-butoxy]phenyl]heptan-4-yl]phenoxy]propane-1,2-diol
FormulaC28 H42 O5
Molecular Weight458.63
TypeNON-POLYMER
Isomeric SMILESCCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O
InChIInChI=1S/C28H42O5/c1-6-16-28(17-7-2,21-8-12-24(13-9-21)32-19-23(30)18-29)22-10-14-25(15-11-22)33-20-26(31)27(3,4)5/h8-15,23,26,29-31H,6-7,16-20H2,1-5H3/t23-,26-/m0/s1
InChIKeyPJASVJJQJUYPCG-OZXSUGGESA-N

Chemical Details

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

Related Resource References

Resource NameReference
PubChem 71737797