IUPAC Name :(1S,17S)-3,7,9-trihydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
InChI :InChI=1/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
Std.InChI: InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1
InChIKey :RYFFZJHGQCKWMV-YUNKPMOVBE
Std.InChIKey: RYFFZJHGQCKWMV-YUNKPMOVSA-N
SMILES :C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O
Molar Refractivity :91.58 ± 0.3 cm3 (est)
Parachor :693.3 ± 6.0 cm3 (est)
Index of Refraction :1.718 ± 0.02
(est)
Surface Tension :79.3 ± 3.0 dyne/cm (est)
Density :1.585 ± 0.06 g/cm3 (est)
Polarizability :36.30 ± 0.5 10-24cm3 (est)