IUPAC Name :(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)heptamethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
InChI :InChI=1/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
Std.InChI: InChI=1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
InChIKey :KCLIRHUTOPOHKJ-LSZVMECJBT
Std.InChIKey: KCLIRHUTOPOHKJ-LSZVMECJSA-N
SMILES :C/C=C(/C)\C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C
Molar Refractivity :156.84 ± 0.4 cm3 (est)
Parachor :1274.9 ± 6.0 cm3 (est)
Index of Refraction :1.552 ± 0.03
(est)
Surface Tension :45.5 ± 5.0 dyne/cm (est)
Density :1.12 ± 0.1 g/cm3 (est)
Polarizability :62.17 ± 0.5 10-24cm3 (est)