cyclopassifloic acid A

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19+,20+,21-,22-,23-,24-,26+,27-,28-,29-,30+,31+/m0/s1
Std.InChI: InChI=1S/C31H52O7/c1-17(2)30(38,16-32)14-20(33)18(3)19-9-10-27(5)21-7-8-22-28(6,25(36)37)23(34)13-24(35)31(22)15-29(21,31)12-11-26(19,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19+,20+,21-,22-,23-,24-,26+,27-,28-,29-,30+,31+/m0/s1
InChIKey :DHBRFQPOOWANLV-PDAQUDJUBL
Std.InChIKey: DHBRFQPOOWANLV-PDAQUDJUSA-N
SMILES :C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O)O)O)C)C)[C@@H](C[C@@](CO)(C(C)C)O)O
Molar Refractivity :144.57 ± 0.4 cm3 (est)
Parachor :1193.1 ± 6.0 cm3 (est)
Index of Refraction :1.588 ± 0.03 (est)
Surface Tension :59.7 ± 5.0 dyne/cm (est)
Density :1.25 ± 0.1 g/cm3 (est)
Polarizability :57.31 ± 0.5 10-24cm3 (est)