IUPAC Name :(2S)-6-methyl-2-[(5S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
InChI :InChI=1/C30H46O3/c1-19(2)9-8-10-20(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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
Std.InChI: InChI=1S/C30H46O3/c1-19(2)9-8-10-20(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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21+,24+,28+,29-,30+/m0/s1
InChIKey :XLPAINGDLCDYQV-DXXDIINSBL
Std.InChIKey: XLPAINGDLCDYQV-DXXDIINSSA-N
SMILES :CC(=CCC[C@@H]([C@H]1CC[C@]2([C@]1(CCC3=C2CC[C@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)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)