volemolide

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IUPAC Name :(3aS,5aR,6R,8aR)-6-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3a-methoxy-5a-methyl-4,5,6,7,8,8a-hexahydrocyclopenta[e][1]benzofuran-2-one
InChI :InChI=1/C22H34O3/c1-14(2)15(3)7-8-16(4)17-9-10-18-19-13-20(23)25-22(19,24-6)12-11-21(17,18)5/h7-8,13-18H,9-12H2,1-6H3/b8-7+/t15-,16+,17+,18-,21+,22-/m0/s1
Std.InChI: InChI=1S/C22H34O3/c1-14(2)15(3)7-8-16(4)17-9-10-18-19-13-20(23)25-22(19,24-6)12-11-21(17,18)5/h7-8,13-18H,9-12H2,1-6H3/b8-7+/t15-,16+,17+,18-,21+,22-/m0/s1
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InChIKey :FCFUSYHGZLEMJM-IIVOHCRVBC
Std.InChIKey: FCFUSYHGZLEMJM-IIVOHCRVSA-N
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SMILES :C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3(C2=CC(=O)O3)OC)C
Molar Refractivity :100.87 ± 0.4 cm3 (est)
Parachor :822.5 ± 6.0 cm3 (est)
Index of Refraction :1.517 ± 0.03 (est)
Surface Tension :37.1 ± 5.0 dyne/cm (est)
Density :1.04 ± 0.1 g/cm3 (est)
Polarizability :39.99 ± 0.5 10-24cm3 (est)