IUPAC Name :(3S,3aR,4S,9aS,9bR)-9-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-hydroxy-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
InChI :InChI=1/C21H28O10/c1-8-3-11(24)15-9(2)20(28)30-18(15)16-10(4-12(25)14(8)16)6-29-21(7-23)19(27)17(26)13(5-22)31-21/h4,9,11,13,15-19,22-24,26-27H,3,5-7H2,1-2H3/t9-,11-,13+,15+,16-,17+,18-,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H28O10/c1-8-3-11(24)15-9(2)20(28)30-18(15)16-10(4-12(25)14(8)16)6-29-21(7-23)19(27)17(26)13(5-22)31-21/h4,9,11,13,15-19,22-24,26-27H,3,5-7H2,1-2H3/t9-,11-,13+,15+,16-,17+,18-,19-,21+/m0/s1
InChIKey :VPJIBVRZDKWNNF-YHMCHQIZBO
Std.InChIKey: VPJIBVRZDKWNNF-YHMCHQIZSA-N
SMILES :C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)C)O
Molar Refractivity :103.21 ± 0.4 cm3 (est)
Parachor :853.7 ± 6.0 cm3 (est)
Index of Refraction :1.633 ± 0.03
(est)
Surface Tension :76.4 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :40.91 ± 0.5 10-24cm3 (est)