IUPAC Name :3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(2R,4R,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/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19-,20+,21-,22+,23-,24-,25-,27+,28-,29+,30-,31-,32+,33+,34-,35+/m1/s1
Std.InChI: InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19-,20+,21-,22+,23-,24-,25-,27+,28-,29+,30-,31-,32+,33+,34-,35+/m1/s1
InChIKey :BKLVUVLBSZAKIF-AVFPQCJCBM
Std.InChIKey: BKLVUVLBSZAKIF-AVFPQCJCSA-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]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molar Refractivity :167.25 ± 0.4 cm3 (est)
Parachor :1379.0 ± 6.0 cm3 (est)
Index of Refraction :1.612 ± 0.03
(est)
Surface Tension :67.5 ± 5.0 dyne/cm (est)
Density :1.38 ± 0.1 g/cm3 (est)
Polarizability :66.30 ± 0.5 10-24cm3 (est)