IUPAC Name :(E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
InChI :InChI=1/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,20-,22+,24+,28+,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H44O5/c1-17(9-8-10-18(2)26(34)35)20-15-24(33)30(7)19-11-12-22-27(3,4)23(32)13-14-28(22,5)25(19)21(31)16-29(20,30)6/h10,17,20,22,24,33H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,20-,22+,24+,28+,29-,30-/m1/s1
InChIKey :XRBLVCACUHPHDE-NKRIBODABB
Std.InChIKey: XRBLVCACUHPHDE-NKRIBODASA-N
SMILES :C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
Molar Refractivity :135.28 ± 0.4 cm3 (est)
Parachor :1104.4 ± 6.0 cm3 (est)
Index of Refraction :1.558 ± 0.03
(est)
Surface Tension :48.0 ± 5.0 dyne/cm (est)
Density :1.15 ± 0.1 g/cm3 (est)
Polarizability :53.63 ± 0.5 10-24cm3 (est)