IUPAC Name :[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 16-methylheptadecyl carbonate
InChI :InChI=1/C46H82O3/c1-35(2)22-19-17-15-13-11-9-8-10-12-14-16-18-20-33-48-44(47)49-39-29-31-45(6)38(34-39)25-26-40-42-28-27-41(37(5)24-21-23-36(3)4)46(42,7)32-30-43(40)45/h25,35-37,39-43H,8-24,26-34H2,1-7H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
Std.InChI: InChI=1S/C46H82O3/c1-35(2)22-19-17-15-13-11-9-8-10-12-14-16-18-20-33-48-44(47)49-39-29-31-45(6)38(34-39)25-26-40-42-28-27-41(37(5)24-21-23-36(3)4)46(42,7)32-30-43(40)45/h25,35-37,39-43H,8-24,26-34H2,1-7H3/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
InChIKey :VKDIIYWKXJGBIA-TVDLSCFRBZ
Std.InChIKey: VKDIIYWKXJGBIA-TVDLSCFRSA-N
SMILES :C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCCCCCCCCCCCCCCCC(C)C)C)C
Molar Refractivity :210.00 ± 0.4 cm3 (est)
Parachor :1761.1 ± 6.0 cm3 (est)
Index of Refraction :1.504 ± 0.03
(est)
Surface Tension :38.1 ± 5.0 dyne/cm (est)
Density :0.96 ± 0.1 g/cm3 (est)
Polarizability :83.25 ± 0.5 10-24cm3 (est)