IUPAC Name :(2R,3aR,5aS,8aS)-5a,8-dihydroxy-3,3-dimethyl-7-(3-methylbutanoyl)-2-prop-1-en-2-yl-1,2,3a,4-tetrahydrocyclopenta[c]pentalene-5,6-dione
InChI :InChI=1/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,24,26H,3,7-9H2,1-2,4-6H3/t12-,14-,20+,21+/m1/s1
Std.InChI: InChI=1S/C21H28O5/c1-10(2)7-13(22)16-17(24)20-9-12(11(3)4)19(5,6)14(20)8-15(23)21(20,26)18(16)25/h10,12,14,24,26H,3,7-9H2,1-2,4-6H3/t12-,14-,20+,21+/m1/s1
InChIKey :PWIQQNKUKZZJRP-QZHPCCELBT
Std.InChIKey: PWIQQNKUKZZJRP-QZHPCCELSA-N
SMILES :CC(C)CC(=O)C1=C([C@]23C[C@@H](C([C@H]2CC(=O)[C@@]3(C1=O)O)(C)C)C(=C)C)O
Molar Refractivity :95.52 ± 0.4 cm3 (est)
Parachor :780.6 ± 6.0 cm3 (est)
Index of Refraction :1.563 ± 0.03
(est)
Surface Tension :49.6 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :37.86 ± 0.5 10-24cm3 (est)