citbismine E

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IUPAC Name :(1S,2R)-1-(1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxoacridin-2-yl)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
InChI :InChI=1/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3/t26-,35+/m0/s1
Std.InChI: InChI=1S/C36H34N2O11/c1-36(2,45)35-26(24-21(49-35)13-19(41)23-29(24)38(4)28-15(31(23)43)9-11-18(40)34(28)48-7)25-20(46-5)12-16-22(32(25)44)30(42)14-8-10-17(39)33(47-6)27(14)37(16)3/h8-13,26,35,39-41,44-45H,1-7H3/t26-,35+/m0/s1
InChIKey :CWDCMHOLSPPPAS-OSPAZUARBN
Std.InChIKey: CWDCMHOLSPPPAS-OSPAZUARSA-N
SMILES :CC(C)([C@H]1[C@@H](C2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)OC)O
Molar Refractivity :174.41 ± 0.3 cm3 (est)
Parachor :1314.0 ± 6.0 cm3 (est)
Index of Refraction :1.692 ± 0.02 (est)
Surface Tension :69.4 ± 3.0 dyne/cm (est)
Density :1.473 ± 0.06 g/cm3 (est)
Polarizability :69.14 ± 0.5 10-24cm3 (est)