callitrin
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IUPAC Name :(3R,3aR,5R,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one
InChI :InChI=1/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
Std.InChI: InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
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InChIKey :HHMGIPSZHRMYCD-HVNMYJMUBL
Std.InChIKey: HHMGIPSZHRMYCD-HVNMYJMUSA-N
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SMILES :C[C@@H]1[C@H]2C[C@@H]([C@@](C[C@H]2OC1=O)(C)C=C)C(=C)C
Molar Refractivity :70.16 ± 0.3 cm3 (est)
Parachor :560.0 ± 6.0 cm3 (est)
Index of Refraction :1.514 ± 0.02 (est)
Surface Tension :33.3 ± 3.0 dyne/cm (est)
Density :1.005 ± 0.06 g/cm3 (est)
Polarizability :27.81 ± 0.5 10-24cm3 (est)