IUPAC Name :(3S,3aS,5R,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
InChI :InChI=1/C21H30O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
Std.InChI: InChI=1S/C21H30O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey :RCMFOCNCKTYXQN-XSDXADJRBW
Std.InChIKey: RCMFOCNCKTYXQN-XSDXADJRSA-N
SMILES :C[C@H]1[C@@H]2C[C@H](C(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Molar Refractivity :101.43 ± 0.4 cm3 (est)
Parachor :835.9 ± 6.0 cm3 (est)
Index of Refraction :1.591 ± 0.03
(est)
Surface Tension :60.2 ± 5.0 dyne/cm (est)
Density :1.36 ± 0.1 g/cm3 (est)
Polarizability :40.21 ± 0.5 10-24cm3 (est)