IUPAC Name :[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hexadecanoyloxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate
InChI :InChI=1/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
Std.InChI: InChI=1S/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3/b40-39+,45-41+,46-42+,53-51+,54-52+,59-43+,60-44+,61-47+,62-48+/t65-,66-/m1/s1
InChIKey :XACHQDDXHDTRLX-XLVVAOPEBU
Std.InChIKey: XACHQDDXHDTRLX-XLVVAOPESA-N
SMILES :O=C(O[C@@H]2C/C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(\C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC1(C)C)C)C)C)C)C(C2)(C)C)C)CCCCCCCCCCCCCCC
Molar Refractivity :332.24 ± 0.4 cm3 (est)
Parachor :2729.3 ± 6.0 cm3 (est)
Index of Refraction :1.523 ± 0.03
(est)
Surface Tension :39.8 ± 5.0 dyne/cm (est)
Density :0.96 ± 0.1 g/cm3 (est)
Polarizability :131.71 ± 0.5 10-24cm3 (est)