bullatacinone

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IUPAC Name :(5S)-5-[(11S)-11-hydroxy-11-[(2S,5R)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
InChI :InChI=1/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29?,30-,31+,32-,33-,34-,35+,36+/m0/s1
Std.InChI: InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29?,30-,31+,32-,33-,34-,35+,36+/m0/s1
InChIKey :KGGVWMAPBXIMEM-YPSBWLOUBV
Std.InChIKey: KGGVWMAPBXIMEM-YPSBWLOUSA-N
SMILES :CCCCCCCCCC[C@H]([C@@H]1CC[C@@H](O1)[C@H]2CC[C@H](O2)[C@H](CCCCCCCCCC[C@H]3CC(C(=O)O3)CC(=O)C)O)O
Molar Refractivity :175.25 ± 0.3 cm3 (est)
Parachor :1513.0 ± 6.0 cm3 (est)
Index of Refraction :1.495 ± 0.02 (est)
Surface Tension :40.4 ± 3.0 dyne/cm (est)
Density :1.038 ± 0.06 g/cm3 (est)
Polarizability :69.47 ± 0.5 10-24cm3 (est)