IUPAC Name :4-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
InChI :InChI=1/C33H52O4/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(37-31(36)15-14-30(34)35)16-18-32(24,5)29(26)17-19-33(27,28)6/h8-10,21-23,25-29H,7,11-20H2,1-6H3,(H,34,35)/b9-8+/t22-,23-,25+,26+,27-,28+,29+,32+,33-/m1/s1
Std.InChI: InChI=1S/C33H52O4/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(37-31(36)15-14-30(34)35)16-18-32(24,5)29(26)17-19-33(27,28)6/h8-10,21-23,25-29H,7,11-20H2,1-6H3,(H,34,35)/b9-8+/t22-,23-,25+,26+,27-,28+,29+,32+,33-/m1/s1
InChIKey :LYTVDXWBHQIFHO-GMZLGSTCBG
Std.InChIKey: LYTVDXWBHQIFHO-GMZLGSTCSA-N
SMILES :CC[C@H](/C=C/[C@@H](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)CCC(=O)O)C)C)C(C)C
Molar Refractivity :149.62 ± 0.4 cm3 (est)
Parachor :1229.6 ± 6.0 cm3 (est)
Index of Refraction :1.533 ± 0.03
(est)
Surface Tension :42.4 ± 5.0 dyne/cm (est)
Density :1.06 ± 0.1 g/cm3 (est)
Polarizability :59.31 ± 0.5 10-24cm3 (est)