gentiopicrin

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IUPAC Name :(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one
InChI :InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
Std.InChI: InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey :DUAGQYUORDTXOR-GPQRQXLABI
Std.InChIKey: DUAGQYUORDTXOR-GPQRQXLASA-N
SMILES :C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
MDL: MFCD00075700
Molar Refractivity :82.20 ± 0.4 cm3 (est)
Parachor :679.6 ± 6.0 cm3 (est)
Index of Refraction :1.623 ± 0.03 (est)
Surface Tension :72.3 ± 5.0 dyne/cm (est)
Density :1.52 ± 0.1 g/cm3 (est)
Polarizability :32.58 ± 0.5 10-24cm3 (est)