IUPAC Name :(E,6S)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
InChI :InChI=1/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24-,28+,29-,30+/m0/s1
Std.InChI: InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24-,28+,29-,30+/m0/s1
InChIKey :KDCSSVADTHDYGI-WDFVIKIOBV
Std.InChIKey: KDCSSVADTHDYGI-WDFVIKIOSA-N
SMILES :C[C@@H](CC/C=C(\C)/C(=O)O)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C
Molar Refractivity :133.65 ± 0.4 cm3 (est)
Parachor :1084.3 ± 6.0 cm3 (est)
Index of Refraction :1.541 ± 0.03
(est)
Surface Tension :42.4 ± 5.0 dyne/cm (est)
Density :1.07 ± 0.1 g/cm3 (est)
Polarizability :52.98 ± 0.5 10-24cm3 (est)