IUPAC Name :3-[(3S,5R,8R,9S,10R,11R,13R,14S,17R)-11,14-dihydroxy-10-(hydroxymethyl)-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-13-methyl-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/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3/t16-,18-,19+,20-,21-,22+,23-,24-,26+,27-,28-,29+,30-,31-,32+,33-,34-,35+/m1/s1
Std.InChI: InChI=1S/C35H54O14/c1-16-31(49-32-30(43)29(42)28(41)24(13-36)48-32)22(38)11-26(46-16)47-19-5-7-34(15-37)18(10-19)3-4-21-27(34)23(39)12-33(2)20(6-8-35(21,33)44)17-9-25(40)45-14-17/h9,16,18-24,26-32,36-39,41-44H,3-8,10-15H2,1-2H3/t16-,18-,19+,20-,21-,22+,23-,24-,26+,27-,28-,29+,30-,31-,32+,33-,34-,35+/m1/s1
InChIKey :JDZAOLKPOCCARR-YGDAQTHNBT
Std.InChIKey: JDZAOLKPOCCARR-YGDAQTHNSA-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)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molar Refractivity :170.30 ± 0.4 cm3 (est)
Parachor :1411.0 ± 6.0 cm3 (est)
Index of Refraction :1.634 ± 0.03
(est)
Surface Tension :77.2 ± 5.0 dyne/cm (est)
Density :1.46 ± 0.1 g/cm3 (est)
Polarizability :67.51 ± 0.5 10-24cm3 (est)