IUPAC Name :(3S,3aS,5R,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-5-[(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/c1-7-10-4-12(29-21-18(27)17(26)16(25)13(6-23)30-21)8(2)14-11(24)3-9(5-22)15(14)19(10)31-20(7)28/h3,7,10,12-13,15-19,21-23,25-27H,4-6H2,1-2H3/t7-,10-,12+,13+,15-,16+,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H28O10/c1-7-10-4-12(29-21-18(27)17(26)16(25)13(6-23)30-21)8(2)14-11(24)3-9(5-22)15(14)19(10)31-20(7)28/h3,7,10,12-13,15-19,21-23,25-27H,4-6H2,1-2H3/t7-,10-,12+,13+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey :NKRBYIJSKJPAKV-NLHHRKREBT
Std.InChIKey: NKRBYIJSKJPAKV-NLHHRKRESA-N
SMILES :C[C@H]1[C@@H]2C[C@H](C(=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)