bullacin B

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IUPAC Name :(2S)-4-[(4R,13R)-4,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-10-9-11-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+,36+/m0/s1
Std.InChI: InChI=1S/C37H66O7/c1-3-4-5-6-7-8-12-15-21-31(39)33-23-25-35(43-33)36-26-24-34(44-36)32(40)22-16-13-10-9-11-14-19-30(38)20-17-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32+,33+,34+,35+,36+/m0/s1
InChIKey :QUGFUBNTTOOGMC-UOCXRWNNBJ
Std.InChIKey: QUGFUBNTTOOGMC-UOCXRWNNSA-N
SMILES :CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCC[C@H](CCCC3=C[C@@H](OC3=O)C)O)O)O
Molar Refractivity :176.33 ± 0.3 cm3 (est)
Parachor :1508.7 ± 6.0 cm3 (est)
Index of Refraction :1.508 ± 0.02 (est)
Surface Tension :42.4 ± 3.0 dyne/cm (est)
Density :1.054 ± 0.06 g/cm3 (est)
Polarizability :69.90 ± 0.5 10-24cm3 (est)