IUPAC Name :(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI :InChI=1/C42H72O15/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8)14-11-26(57-42)38(3,4)52)9-13-40(27,6)41(24,7)16-21(34(37)39)53-36-33(31(50)29(48)23(18-44)55-36)56-35-32(51)30(49)28(47)22(17-43)54-35/h19-36,43-52H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
Std.InChI: InChI=1S/C42H72O15/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8)14-11-26(57-42)38(3,4)52)9-13-40(27,6)41(24,7)16-21(34(37)39)53-36-33(31(50)29(48)23(18-44)55-36)56-35-32(51)30(49)28(47)22(17-43)54-35/h19-36,43-52H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1
InChIKey :TVWNWTCNFUZDDJ-OKTAXTKLBK
Std.InChIKey: TVWNWTCNFUZDDJ-OKTAXTKLSA-N
SMILES :C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C
Molar Refractivity :205.94 ± 0.4 cm3 (est)
Parachor :1719.2 ± 6.0 cm3 (est)
Index of Refraction :1.608 ± 0.03
(est)
Surface Tension :69.5 ± 5.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :81.64 ± 0.5 10-24cm3 (est)