limonin

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InChI :InChI=1/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20?,23-,24-,25+,26+/m0/s1
Std.InChI: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20?,23-,24-,25+,26+/m0/s1
InChIKey :KBDSLGBFQAGHBE-QDTQPDKMBP
Std.InChIKey: KBDSLGBFQAGHBE-QDTQPDKMSA-N
SMILES :O=C4[C@@]6(C)[C@@]72OC7C(=O)O[C@@H](c1ccoc1)[C@]2(C)CC[C@@H]6[C@]35COC(=O)C[C@@H]5OC([C@@H]3C4)(C)C
MDL: MFCD00075922
Molar Refractivity :116.10 ± 0.4 cm3 (est)
Parachor :931.5 ± 6.0 cm3 (est)
Index of Refraction :1.602 ± 0.03 (est)
Surface Tension :57.5 ± 5.0 dyne/cm (est)
Density :1.39 ± 0.1 g/cm3 (est)
Polarizability :46.02 ± 0.5 10-24cm3 (est)