IUPAC Name :(3S,3aR,4S,9aS,9bR)-9-(hydroxymethyl)-3,6-dimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChI :InChI=1/C21H28O10/c1-7-3-11(29-21-18(27)17(26)16(25)12(6-23)30-21)14-8(2)20(28)31-19(14)15-9(5-22)4-10(24)13(7)15/h4,8,11-12,14-19,21-23,25-27H,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(29-21-18(27)17(26)16(25)12(6-23)30-21)14-8(2)20(28)31-19(14)15-9(5-22)4-10(24)13(7)15/h4,8,11-12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8-,11-,12+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey :NUAIXFCSBZGUAF-PNSMZNPGBV
Std.InChIKey: NUAIXFCSBZGUAF-PNSMZNPGSA-N
SMILES :C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)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)