caryoptosidic acid

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI :InChI=1/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t5?,7-,8+,9?,10-,11+,12-,14+,15+,16+/m1/s1
Std.InChI: InChI=1S/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)/t5?,7-,8+,9?,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey :WAXHVHOTAZULHY-YAYBQETGBS
Std.InChIKey: WAXHVHOTAZULHY-YAYBQETGSA-N
SMILES :C[C@@]1([C@H](CC2C1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
Molar Refractivity :85.57 ± 0.4 cm3 (est)
Parachor :729.5 ± 6.0 cm3 (est)
Index of Refraction :1.658 ± 0.03 (est)
Surface Tension :97.6 ± 5.0 dyne/cm (est)
Density :1.69 ± 0.1 g/cm3 (est)
Polarizability :33.92 ± 0.5 10-24cm3 (est)