4-deoxyannoreticuin

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IUPAC Name :(2S)-4-[(13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30?,31+,32+,33+,34+/m0/s1
Std.InChI: InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30?,31+,32+,33+,34+/m0/s1
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InChIKey :JHKNWORCLXKZFL-GCIOFLGLBI
Std.InChIKey: JHKNWORCLXKZFL-GCIOFLGLSA-N
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SMILES :CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCCCC(CCCCCCC2=C[C@@H](OC2=O)C)O)O)O
Molar Refractivity :167.50 ± 0.3 cm3 (est)
Parachor :1441.8 ± 6.0 cm3 (est)
Index of Refraction :1.498 ± 0.02 (est)
Surface Tension :40.7 ± 3.0 dyne/cm (est)
Density :1.018 ± 0.06 g/cm3 (est)
Polarizability :66.40 ± 0.5 10-24cm3 (est)