IUPAC Name :(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChI :InChI=1/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
Std.InChI: InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-21,23,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChIKey :BZQRJBLJDFPOBX-AKKQMVQHBI
Std.InChIKey: BZQRJBLJDFPOBX-AKKQMVQHSA-N
SMILES :O=C2/C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#C\C1=C(\C(=O)[C@@H](O)CC1(C)C)C)C)C)C)C)C(C)(C)C[C@@H]2O)C
Molar Refractivity :181.74 ± 0.4 cm3 (est)
Parachor :1429.9 ± 6.0 cm3 (est)
Index of Refraction :1.577 ± 0.03
(est)
Surface Tension :46.3 ± 5.0 dyne/cm (est)
Density :1.08 ± 0.1 g/cm3 (est)
Polarizability :72.04 ± 0.5 10-24cm3 (est)