IUPAC Name :(2R,3R,4S,5S,6R)-2-[[(8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI :InChI=1/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
Std.InChI: InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey :NPJICTMALKLTFW-QYDWNGEABG
Std.InChIKey: NPJICTMALKLTFW-QYDWNGEASA-N
SMILES :O(C4CC[C@]2(C(=C/C[C@H]1[C@@H]3CCC([C@H](C)CC[C@@H](CC)C(C)C)[C@@]3(C)CC[C@@H]12)\C4)C)[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
MDL: MFCD01683621
Molar Refractivity :162.93 ± 0.4 cm3 (est)
Parachor :1343.5 ± 6.0 cm3 (est)
Index of Refraction :1.553 ± 0.03
(est)
Surface Tension :48.6 ± 5.0 dyne/cm (est)
Density :1.13 ± 0.1 g/cm3 (est)
Polarizability :64.59 ± 0.5 10-24cm3 (est)