armillaribin

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :(3-formyl-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
InChI :InChI=1/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3
Std.InChI: InChI=1S/C24H30O5/c1-13-6-16(28-5)8-18(26)20(13)22(27)29-19-11-24(4)17-10-23(2,3)9-14(17)7-15(12-25)21(19)24/h6,8,12,14,17,19,26H,7,9-11H2,1-5H3
InChIKey :HWLRIFRIRNSGBG-UHFFFAOYAJ
Std.InChIKey: HWLRIFRIRNSGBG-UHFFFAOYSA-N
SMILES :CC1=CC(=CC(=C1C(=O)OC2CC3(C2=C(CC4C3CC(C4)(C)C)C=O)C)O)OC
Molar Refractivity :108.83 ± 0.4 cm3 (est)
Parachor :869.3 ± 6.0 cm3 (est)
Index of Refraction :1.583 ± 0.03 (est)
Surface Tension :50.8 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :43.14 ± 0.5 10-24cm3 (est)