IUPAC Name :octadecyl(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
InChI :InChI=1/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39?,40+,41-,44-,45-,46+,47-,48-/m1/s1
Std.InChI: InChI=1S/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39?,40+,41-,44-,45-,46+,47-,48-/m1/s1
InChIKey :WNIFXKPDILJURQ-WOJAWXFMBB
Std.InChIKey: WNIFXKPDILJURQ-WOJAWXFMSA-N
SMILES :O=C(OCCCCCCCCCCCCCCCCCC)[C@]4(C)CC[C@]5(C)CC[C@]3(C)C(=CC(=O)[C@H]2[C@@]3(C)CCC1[C@]2(C)CC[C@H](O)C1(C)C)[C@H]5C4
MDL: MFCD00674112
Molar Refractivity :217.25 ± 0.4 cm3 (est)
Parachor :1806.9 ± 6.0 cm3 (est)
Index of Refraction :1.524 ± 0.03
(est)
Surface Tension :42.1 ± 5.0 dyne/cm (est)
Density :1.01 ± 0.1 g/cm3 (est)
Polarizability :86.12 ± 0.5 10-24cm3 (est)