IUPAC Name :methyl (1S,2R,4aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylat
InChI :InChI=1/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
Std.InChI: InChI=1S/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
InChIKey :YCBSMEKEDOHEQI-QHQGJMPNBL
Std.InChIKey: YCBSMEKEDOHEQI-QHQGJMPNSA-N
SMILES :C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC
Molar Refractivity :138.35 ± 0.4 cm3 (est)
Parachor :1120.1 ± 6.0 cm3 (est)
Index of Refraction :1.540 ± 0.03
(est)
Surface Tension :41.7 ± 5.0 dyne/cm (est)
Density :1.06 ± 0.1 g/cm3 (est)
Polarizability :54.84 ± 0.5 10-24cm3 (est)