isohumulinone A

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IUPAC Name :3a,3b,6,6a-tetrahydroxy-1,1-dimethyl-5-(3-methylbutanoyl)-2-propan-2-ylidene-7,7a-dihydro-3H-cyclopenta[a]pentalen-4-one
InChI :InChI=1/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,23,25-27H,7-9H2,1-6H3
Std.InChI: InChI=1S/C21H30O6/c1-10(2)7-13(22)15-16(23)20(26)9-14-18(5,6)12(11(3)4)8-19(14,25)21(20,27)17(15)24/h10,14,23,25-27H,7-9H2,1-6H3
InChIKey :NYOQDHLLOFZNAI-UHFFFAOYAF
Std.InChIKey: NYOQDHLLOFZNAI-UHFFFAOYSA-N
SMILES :CC(C)CC(=O)C1=C(C2(CC3C(C(=C(C)C)CC3(C2(C1=O)O)O)(C)C)O)O
Molar Refractivity :98.48 ± 0.3 cm3 (est)
Parachor :802.5 ± 6.0 cm3 (est)
Index of Refraction :1.630 ± 0.02 (est)
Surface Tension :70.8 ± 3.0 dyne/cm (est)
Density :1.368 ± 0.06 g/cm3 (est)
Polarizability :39.04 ± 0.5 10-24cm3 (est)