Chemical Formula C17H16O2

Molecular Weight 252.31 Daltons
Monoisotopic Mass 252.1150297578 Daltons

BioCyc Id CPD-17604
Synonyms (7S)-(Z)-hinokiresinol
SMILES C=C[C@H](C1(\C=C/C(/O)=C\C=1))\C=C/C2(\C=C/C(/O)=C\C=2)
InChI InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3-/t14-/m0/s1
InChIKey InChIKey=VEAUNWQYYMXIRB-XSHSDMCLSA-N
Log P 4.4
Topological Polar Surface Area 40.5 Å
Standard Gibbs Free Energy of Formation (ΔfG) 194.10794 kcal/mol []

Citations: []
Credits: Created 05-Feb-2015 by Foerster H, Boyce Thompson Institute