isovaltrate

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IUPAC Name :[(1S,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
InChI :InChI=1/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
Std.InChI: InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
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InChIKey :XLACUABANMZLCJ-KVJIRVJXBJ
Std.InChIKey: XLACUABANMZLCJ-KVJIRVJXSA-N
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SMILES :CC(C)CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]23CO3)OC(=O)C)OC(=O)CC(C)C
Molar Refractivity :106.10 ± 0.4 cm3 (est)
Parachor :893.9 ± 6.0 cm3 (est)
Index of Refraction :1.528 ± 0.03 (est)
Surface Tension :45.4 ± 5.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :42.06 ± 0.5 10-24cm3 (est)