cichorioside I

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IUPAC Name :(1S,3aS,8aS,9R,9aS)-9-hydroxy-1,5-dimethyl-8-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3a,4,8a,9,9a-hexahydroazuleno[6,5-b]furan-2,6-dione
InChI :InChI=1/C21H28O10/c1-7-3-11-14(8(2)20(28)30-11)17(25)15-9(4-10(23)13(7)15)6-29-21-19(27)18(26)16(24)12(5-22)31-21/h4,8,11-12,14-19,21-22,24-27H,3,5-6H2,1-2H3/t8-,11-,12+,14+,15-,16+,17-,18-,19+,21+/m0/s1
Std.InChI: InChI=1S/C21H28O10/c1-7-3-11-14(8(2)20(28)30-11)17(25)15-9(4-10(23)13(7)15)6-29-21-19(27)18(26)16(24)12(5-22)31-21/h4,8,11-12,14-19,21-22,24-27H,3,5-6H2,1-2H3/t8-,11-,12+,14+,15-,16+,17-,18-,19+,21+/m0/s1
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InChIKey :POOPERNNBMZLBU-YSMJZCICBZ
Std.InChIKey: POOPERNNBMZLBU-YSMJZCICSA-N
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SMILES :C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2O)C(=CC3=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)OC1=O
Molar Refractivity :103.16 ± 0.4 cm3 (est)
Parachor :853.3 ± 6.0 cm3 (est)
Index of Refraction :1.631 ± 0.03 (est)
Surface Tension :75.5 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :40.89 ± 0.5 10-24cm3 (est)