左旋海松酸(79-54-9)核磁图(13CNMR)
InChI:InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChIKey: RWWVEQKPFPXLGL-ONCXSQPRSA-N
Smiles:[C@@]1(C)(C(O)=O)[C@@]2([H])[C@@](C)([C@]3([H])C(CC2)=CC(C(C)C)=CC3)CCC1