mangicrocin

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IUPAC Name :1-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)cyclohexyl]methyl] (2E,4E,6E,8Z,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
InChI :InChI=1/C46H52O18/c1-21(9-5-6-10-22(2)12-8-14-24(4)45(60)64-46-43(58)42(57)39(54)33(19-47)63-46)11-7-13-23(3)44(59)61-20-25-15-27(38(53)41(56)36(25)51)34-30(50)18-32-35(40(34)55)37(52)26-16-28(48)29(49)17-31(26)62-32/h5-14,16-18,25,27,33,36,38-39,41-43,46-51,53-58H,15,19-20H2,1-4H3/b6-5-,11-7+,12-8+,21-9+,22-10+,23-13+,24-14+/t25-,27-,33+,36-,38+,39+,41+,42-,43+,46-/m0/s1
Std.InChI: InChI=1S/C46H52O18/c1-21(9-5-6-10-22(2)12-8-14-24(4)45(60)64-46-43(58)42(57)39(54)33(19-47)63-46)11-7-13-23(3)44(59)61-20-25-15-27(38(53)41(56)36(25)51)34-30(50)18-32-35(40(34)55)37(52)26-16-28(48)29(49)17-31(26)62-32/h5-14,16-18,25,27,33,36,38-39,41-43,46-51,53-58H,15,19-20H2,1-4H3/b6-5-,11-7+,12-8+,21-9+,22-10+,23-13+,24-14+/t25-,27-,33+,36-,38+,39+,41+,42-,43+,46-/m0/s1
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InChIKey :NCWGUSGGDZUCES-BMPAEULOBM
Std.InChIKey: NCWGUSGGDZUCES-BMPAEULOSA-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[C@@H]2C[C@H]([C@H]([C@@H]([C@H]2O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=CC(=C(C=C5O4)O)O)O
Molar Refractivity :225.17 ± 0.4 cm3 (est)
Parachor :1800.8 ± 6.0 cm3 (est)
Index of Refraction :1.701 ± 0.03 (est)
Surface Tension :92.0 ± 5.0 dyne/cm (est)
Density :1.53 ± 0.1 g/cm3 (est)
Polarizability :89.26 ± 0.5 10-24cm3 (est)