morellin

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InChI :InChI=1/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23+,32+,33-/m1/s1
Std.InChI: InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19-,23+,32+,33-/m1/s1
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InChIKey :COQAPWLZSHQTKA-MSDOJSJIBC
Std.InChIKey: COQAPWLZSHQTKA-MSDOJSJISA-N
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SMILES :CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C4=C[C@@H]5C[C@@H]6[C@@]4(O2)[C@](C5=O)(OC6(C)C)C/C=C(/C)\C=O)C
Molar Refractivity :147.81 ± 0.4 cm3 (est)
Parachor :1146.6 ± 6.0 cm3 (est)
Index of Refraction :1.631 ± 0.03 (est)
Surface Tension :58.4 ± 5.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :58.59 ± 0.5 10-24cm3 (est)