IUPAC Name :3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI :InChI=1/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3/t16-,18-,19+,20-,21-,22+,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+/m1/s1
Std.InChI: InChI=1S/C35H54O13/c1-16-31(48-32-30(42)29(41)28(40)24(14-36)47-32)22(37)12-26(45-16)46-19-6-8-33(2)18(11-19)4-5-21-27(33)23(38)13-34(3)20(7-9-35(21,34)43)17-10-25(39)44-15-17/h10,16,18-24,26-32,36-38,40-43H,4-9,11-15H2,1-3H3/t16-,18-,19+,20-,21-,22+,23-,24-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+/m1/s1
InChIKey :HNHIWJNROSKAOI-ORVBZDAHBU
Std.InChIKey: HNHIWJNROSKAOI-ORVBZDAHSA-N
SMILES :C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molar Refractivity :168.76 ± 0.4 cm3 (est)
Parachor :1393.9 ± 6.0 cm3 (est)
Index of Refraction :1.622 ± 0.03
(est)
Surface Tension :71.8 ± 5.0 dyne/cm (est)
Density :1.42 ± 0.1 g/cm3 (est)
Polarizability :66.90 ± 0.5 10-24cm3 (est)