IUPAC Name :(3S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI :InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
Std.InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey :ZKQRGSXITBHHPC-VVQHAZRABT
Std.InChIKey: ZKQRGSXITBHHPC-VVQHAZRASA-N
SMILES :C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Molar Refractivity :124.28 ± 0.4 cm3 (est)
Parachor :996.8 ± 6.0 cm3 (est)
Index of Refraction :1.532 ± 0.03
(est)
Surface Tension :38.2 ± 5.0 dyne/cm (est)
Density :0.99 ± 0.1 g/cm3 (est)
Polarizability :49.27 ± 0.5 10-24cm3 (est)