IUPAC Name :4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI :InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16+,17-,18-,19+,20-,22-,23-,24+/m0/s1
Std.InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13?,14-,15+,16+,17-,18-,19+,20-,22-,23-,24+/m0/s1
InChIKey :BHQCQFFYRZLCQQ-UDTVJMINBI
Std.InChIKey: BHQCQFFYRZLCQQ-UDTVJMINSA-N
SMILES :CC(CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
MDL: MFCD00003672
Molar Refractivity :111.24 ± 0.3 cm3 (est)
Parachor :920.9 ± 6.0 cm3 (est)
Index of Refraction :1.558 ± 0.02 (est)
Surface Tension :50.8 ± 3.0 dyne/cm (est)
Density :1.184 ± 0.06 g/cm3 (est)
Polarizability :44.09 ± 0.5 10-24cm3 (est)