IUPAC Name :(3a,18a)-3-acetoxyolean-12-en-24-oic acid
InChI :InChI=1/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24-,25-,28-,29-,30-,31-,32-/m1/s1
Std.InChI: InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(5)23-10-9-21-22-19-27(2,3)15-16-28(22,4)17-18-30(21,6)31(23,7)14-11-24(29)32(25,8)26(34)35/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24-,25-,28-,29-,30-,31-,32-/m1/s1
InChIKey :IAWGZKRQDHPFCZ-MKYDEZGABF
Std.InChIKey: IAWGZKRQDHPFCZ-MKYDEZGASA-N
SMILES :CC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C)C)C)C
MDL: MFCD03788772
Molar Refractivity :143.15 ± 0.4 cm3 (est)
Parachor :1165.7 ± 6.0 cm3 (est)
Index of Refraction :1.545 ± 0.03
(est)
Surface Tension :44.0 ± 5.0 dyne/cm (est)
Density :1.10 ± 0.1 g/cm3 (est)
Polarizability :56.75 ± 0.5 10-24cm3 (est)