crocin 4

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IUPAC Name :1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
InChI :InChI=1/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11+,19-14+,20-15+/t21-,22-,23+,24-,27+/m1/s1
Std.InChI: InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11+,19-14+,20-15+/t21-,22-,23+,24-,27+/m1/s1
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InChIKey :ATQIQIBBBWQWOT-OMNKTTJZBI
Std.InChIKey: ATQIQIBBBWQWOT-OMNKTTJZSA-N
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SMILES :C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)OC
Molar Refractivity :134.96 ± 0.4 cm3 (est)
Parachor :1109.7 ± 6.0 cm3 (est)
Index of Refraction :1.574 ± 0.03 (est)
Surface Tension :54.3 ± 5.0 dyne/cm (est)
Density :1.23 ± 0.1 g/cm3 (est)
Polarizability :53.50 ± 0.5 10-24cm3 (est)