pedunculagin

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InChI :InChI=1/C34H24O22/c35-5-16-30(56-34(52)10-4-14(39)24(44)28(48)20(10)18-8(32(50)54-16)2-12(37)22(42)26(18)46)29-15(40)6-53-31(49)7-1-11(36)21(41)25(45)17(7)19-9(33(51)55-29)3-13(38)23(43)27(19)47/h1-5,15-16,29-30,36-48H,6H2
Std.InChI: InChI=1S/C34H24O22/c35-5-16-30(56-34(52)10-4-14(39)24(44)28(48)20(10)18-8(32(50)54-16)2-12(37)22(42)26(18)46)29-15(40)6-53-31(49)7-1-11(36)21(41)25(45)17(7)19-9(33(51)55-29)3-13(38)23(43)27(19)47/h1-5,15-16,29-30,36-48H,6H2
InChIKey :KHMBJGKOFANMAO-UHFFFAOYAG
Std.InChIKey: KHMBJGKOFANMAO-UHFFFAOYSA-N
SMILES :O=C2OC(C=O)C(OC(=O)c3cc(O)c(O)c(O)c3c1c(O)c(O)c(O)cc12)C5OC(=O)c6cc(O)c(O)c(O)c6c4c(O)c(O)c(O)cc4C(=O)OCC5O
Molar Refractivity :175.63 ± 0.3 cm3 (est)
Parachor :1362.1 ± 6.0 cm3 (est)
Index of Refraction :1.828 ± 0.02 (est)
Surface Tension :134.0 ± 3.0 dyne/cm (est)
Density :1.959 ± 0.06 g/cm3 (est)
Polarizability :69.62 ± 0.5 10-24cm3 (est)