syrosingopine

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IUPAC Name :methyl
InChI :InChI=1/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1
Std.InChI: InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1
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InChIKey :ZCDNRPPFBQDQHR-SSYATKPKBX
Std.InChIKey: ZCDNRPPFBQDQHR-SSYATKPKSA-N
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SMILES :CCOC(=O)Oc1c(cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c6ccc(cc6[nH]c5[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)OC)OC
MDL: MFCD00017411
Molar Refractivity :172.05 ± 0.4 cm3 (est)
Parachor :1380.1 ± 6.0 cm3 (est)
Index of Refraction :1.615 ± 0.03 (est)
Surface Tension :61.5 ± 5.0 dyne/cm (est)
Density :1.35 ± 0.1 g/cm3 (est)
Polarizability :68.20 ± 0.5 10-24cm3 (est)