IUPAC Name :(4R)-4-[(3S,5R,7S,10S,12S,13R,14R,17R)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI :InChI=1/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)/t13-,14-,15+,16+,17+,23-,25+,26+,27+/m1/s1
Std.InChI: InChI=1S/C27H40O7/c1-13(7-8-19(31)32)14-11-18(30)27(6)20-15(28)12-16-24(2,3)17(29)9-10-25(16,4)21(20)22(33)23(34)26(14,27)5/h13-17,23,28-29,34H,7-12H2,1-6H3,(H,31,32)/t13-,14-,15+,16+,17+,23-,25+,26+,27+/m1/s1
InChIKey :XIMQDJNNBMWDIH-YAQOJFSYBQ
Std.InChIKey: XIMQDJNNBMWDIH-YAQOJFSYSA-N
SMILES :C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)O)C)C
Molar Refractivity :124.73 ± 0.4 cm3 (est)
Parachor :1030.3 ± 6.0 cm3 (est)
Index of Refraction :1.582 ± 0.03
(est)
Surface Tension :57.7 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :49.44 ± 0.5 10-24cm3 (est)