IUPAC Name :(6R)-6-[(10S,13R,14R,15R,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-methyl-4-oxoheptanoic acid
InChI :InChI=1/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22?,24-,28+,29-,30-/m1/s1
Std.InChI: InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22?,24-,28+,29-,30-/m1/s1
InChIKey :XRXBNTYHQXKSAO-VYLNFFKMBX
Std.InChIKey: XRXBNTYHQXKSAO-VYLNFFKMSA-N
SMILES :C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@H]([C@@]2([C@@]1(CC(=O)C3=C2CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
Molar Refractivity :135.69 ± 0.4 cm3 (est)
Parachor :1123.7 ± 6.0 cm3 (est)
Index of Refraction :1.553 ± 0.03
(est)
Surface Tension :49.4 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :53.79 ± 0.5 10-24cm3 (est)