hastatoside

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IUPAC Name :methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
InChI :InChI=1/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1
Std.InChI: InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1
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InChIKey :PRZVXHGUJJPSME-CZMSZWGTBQ
Std.InChIKey: PRZVXHGUJJPSME-CZMSZWGTSA-N
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SMILES :C[C@H]1CC(=O)[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Molar Refractivity :89.01 ± 0.4 cm3 (est)
Parachor :763.1 ± 6.0 cm3 (est)
Index of Refraction :1.612 ± 0.03 (est)
Surface Tension :79.0 ± 5.0 dyne/cm (est)
Density :1.58 ± 0.1 g/cm3 (est)
Polarizability :35.29 ± 0.5 10-24cm3 (est)