annonacin-10-one

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IUPAC Name :(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one
InChI :InChI=1/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31+,32+,33+,34?/m0/s1
Std.InChI: InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31+,32+,33+,34?/m0/s1
InChIKey :WVAPCAKZINGVII-FYEQENAWBT
Std.InChIKey: WVAPCAKZINGVII-FYEQENAWSA-N
SMILES :CCCCCCCCCCCC[C@H]([C@H]1CCC(O1)[C@@H](CCCCC(=O)CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O
Molar Refractivity :167.53 ± 0.3 cm3 (est)
Parachor :1447.0 ± 6.0 cm3 (est)
Index of Refraction :1.502 ± 0.02 (est)
Surface Tension :42.2 ± 3.0 dyne/cm (est)
Density :1.047 ± 0.06 g/cm3 (est)
Polarizability :66.41 ± 0.5 10-24cm3 (est)