annopentocin A

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IUPAC Name :(2S)-4-[(2R,8R)-2,8-dihydroxy-9-[(2S,5S)-5-[(1S,4S,5S)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31-,32-,33-,34-/m0/s1
Std.InChI: InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(38)32(39)20-21-33(40)34-22-19-30(43-34)25-29(37)17-14-12-13-16-28(36)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3/t26-,28+,29+,30-,31-,32-,33-,34-/m0/s1
InChIKey :ZPRYGZNEAVBQEP-VZFMJEBSBJ
Std.InChIKey: ZPRYGZNEAVBQEP-VZFMJEBSSA-N
SMILES :CCCCCCCCCCCC[C@@H]([C@H](CC[C@@H]([C@@H]1CC[C@H](O1)C[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O)O
Molar Refractivity :170.54 ± 0.3 cm3 (est)
Parachor :1471.8 ± 6.0 cm3 (est)
Index of Refraction :1.511 ± 0.02 (est)
Surface Tension :44.8 ± 3.0 dyne/cm (est)
Density :1.077 ± 0.06 g/cm3 (est)
Polarizability :67.60 ± 0.5 10-24cm3 (est)