annonin XIV

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IUPAC Name :(2S)-4-[(13R)-13-hydroxy-13-[(2R,5R)-4-hydroxy-5-[(2R,5R)-3-hydroxy-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C37H66O8/c1-3-4-5-6-7-13-16-19-22-29(38)33-25-31(40)35(44-33)36-32(41)26-34(45-36)30(39)23-20-17-14-11-9-8-10-12-15-18-21-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29-,30+,31?,32?,33+,34+,35+,36+/m0/s1
Std.InChI: InChI=1S/C37H66O8/c1-3-4-5-6-7-13-16-19-22-29(38)33-25-31(40)35(44-33)36-32(41)26-34(45-36)30(39)23-20-17-14-11-9-8-10-12-15-18-21-28-24-27(2)43-37(28)42/h24,27,29-36,38-41H,3-23,25-26H2,1-2H3/t27-,29-,30+,31?,32?,33+,34+,35+,36+/m0/s1
InChIKey :DOHLFOVCRSOEOJ-LWZUVYFPBA
Std.InChIKey: DOHLFOVCRSOEOJ-LWZUVYFPSA-N
SMILES :CCCCCCCCCC[C@@H]([C@H]1CC([C@@H](O1)[C@H]2C(C[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O)O)O
Molar Refractivity :178.02 ± 0.3 cm3 (est)
Parachor :1523.7 ± 6.0 cm3 (est)
Index of Refraction :1.518 ± 0.02 (est)
Surface Tension :45.3 ± 3.0 dyne/cm (est)
Density :1.088 ± 0.06 g/cm3 (est)
Polarizability :70.57 ± 0.5 10-24cm3 (est)