IUPAC Name :(3a)-3-acetoxy-11-oxours-12-en-24-oic acid
InChI :InChI=1/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
Std.InChI: InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChIKey :HMMGKOVEOFBCAU-BCDBGHSCBM
Std.InChIKey: HMMGKOVEOFBCAU-BCDBGHSCSA-N
SMILES :O=C(O)[C@@]1(C)[C@H](OC(=O)C)CC[C@@]3(C)[C@H]1CC[C@]2([C@]5(/C(=C\C(=O)[C@@H]23)[C@@H]4[C@H]([C@@H](CC[C@]4(C)CC5)C)C)C)C
MDL: MFCD03788777
Molar Refractivity :143.22 ± 0.4 cm3 (est)
Parachor :1170.5 ± 6.0 cm3 (est)
Index of Refraction :1.549 ± 0.03
(est)
Surface Tension :45.7 ± 5.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :56.77 ± 0.5 10-24cm3 (est)