IUPAC Name :(3S,5S,6S,8S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
InChI :InChI=1/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,12-16,18-19,22-24H,4-6,8-11H2,1-3H3/t12-,13+,14+,15-,16+,18-,19+,20-,21-/m1/s1
Std.InChI: InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,12-16,18-19,22-24H,4-6,8-11H2,1-3H3/t12-,13+,14+,15-,16+,18-,19+,20-,21-/m1/s1
InChIKey :XCGDFVUIBHDDNK-JMGMBTOPBX
Std.InChIKey: XCGDFVUIBHDDNK-JMGMBTOPSA-N
SMILES :C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O
Molar Refractivity :95.26 ± 0.4 cm3 (est)
Parachor :766.5 ± 6.0 cm3 (est)
Index of Refraction :1.573 ± 0.03
(est)
Surface Tension :49.4 ± 5.0 dyne/cm (est)
Density :1.15 ± 0.1 g/cm3 (est)
Polarizability :37.76 ± 0.5 10-24cm3 (est)