betavulgaroside IX

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InChI :InChI=1/C52H80O24/c1-47(2)14-16-52(46(68)76-44-34(61)32(59)31(58)25(19-53)71-44)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-45-39(75-42-33(60)30(57)24(54)20-69-42)37(35(62)38(74-45)41(66)67)73-43(36(63)40(64)65)70-21-29(55)56/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)/t23-,24+,25+,26-,27+,28-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+,42-,43-,44-,45+,49-,50+,51+,52-/m0/s1
Std.InChI: InChI=1S/C52H80O24/c1-47(2)14-16-52(46(68)76-44-34(61)32(59)31(58)25(19-53)71-44)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-45-39(75-42-33(60)30(57)24(54)20-69-42)37(35(62)38(74-45)41(66)67)73-43(36(63)40(64)65)70-21-29(55)56/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)/t23-,24+,25+,26-,27+,28-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+,42-,43-,44-,45+,49-,50+,51+,52-/m0/s1
InChIKey :UQNOEAJNMXHXLO-RFGJWIPIBX
Std.InChIKey: UQNOEAJNMXHXLO-RFGJWIPISA-N
SMILES :C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@@H]([C@H](C(=O)O)O)OCC(=O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
Molar Refractivity :258.60 ± 0.4 cm3 (est)
Parachor :2185.9 ± 6.0 cm3 (est)
Index of Refraction :1.628 ± 0.03 (est)
Surface Tension :81.0 ± 5.0 dyne/cm (est)
Density :1.49 ± 0.1 g/cm3 (est)
Polarizability :102.52 ± 0.5 10-24cm3 (est)