IUPAC Name :(6R)-2-methyl-4-oxo-6-[(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]heptanoic acid
InChI :InChI=1/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
Std.InChI: InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,25,32-33,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,20+,25-,28+,29+,30+/m1/s1
InChIKey :BPJPBLZKOVIJQD-YYFGTHFABI
Std.InChIKey: BPJPBLZKOVIJQD-YYFGTHFASA-N
SMILES :C[C@H](CC(=O)CC(C)C(=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 :138.72 ± 0.4 cm3 (est)
Parachor :1153.6 ± 6.0 cm3 (est)
Index of Refraction :1.575 ± 0.03
(est)
Surface Tension :57.2 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :54.99 ± 0.5 10-24cm3 (est)