rhoeadine

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InChI :InChI=1/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
Std.InChI: InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
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InChIKey :XRBIHOLQAKITPP-SBHAEUEKBA
Std.InChIKey: XRBIHOLQAKITPP-SBHAEUEKSA-N
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SMILES :CN1CCc2cc3c(cc2[C@@H]4[C@H]1c5ccc6c(c5[C@H](O4)OC)OCO6)OCO3
Molar Refractivity :99.19 ± 0.4 cm3 (est)
Parachor :751.6 ± 6.0 cm3 (est)
Index of Refraction :1.674 ± 0.03 (est)
Surface Tension :65.5 ± 5.0 dyne/cm (est)
Density :1.45 ± 0.1 g/cm3 (est)
Polarizability :39.32 ± 0.5 10-24cm3 (est)