IUPAC Name :(8R,9S,10R,13R,14S,17S)-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI :InChI=1/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16+,17+,18-,20+,21-/m1/s1
Std.InChI: InChI=1S/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16+,17+,18-,20+,21-/m1/s1
InChIKey :VPJHREHKRNIYDB-TZGXILGRBD
Std.InChIKey: VPJHREHKRNIYDB-TZGXILGRSA-N
SMILES :O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)CO)(C)CC4
MDL: MFCD00010486
Molar Refractivity :94.02 ± 0.4 cm3 (est)
Parachor :765.9 ± 6.0 cm3 (est)
Index of Refraction :1.577 ± 0.03
(est)
Surface Tension :53.1 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :37.27 ± 0.5 10-24cm3 (est)