caraganoside A

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InChI :InChI=1/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
Std.InChI: InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
InChIKey :MLIQJRVPWRKGIO-BPJZXJLTBA
Std.InChIKey: MLIQJRVPWRKGIO-BPJZXJLTSA-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](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O
Molar Refractivity :256.17 ± 0.4 cm3 (est)
Parachor :2136.9 ± 6.0 cm3 (est)
Index of Refraction :1.628 ± 0.03 (est)
Surface Tension :77.1 ± 5.0 dyne/cm (est)
Density :1.44 ± 0.1 g/cm3 (est)
Polarizability :101.55 ± 0.5 10-24cm3 (est)