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Common molecules sample 50940 - Reciprocal Net Log in
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Empirical formula: C22H30O5
a: 8.156 Å
b: 9.904 Å
c: 26.557 Å
α (alpha): 90.00 °
β (beta): 90.00 °
γ (gamma): 90.00 °
Volume: 2145.20 Å3
Space group: P212121
Calculated density: 1.159 g/cm3
Z: 4
Temperature: 22.0 °C
Formula weight: 374.477 g/mole
R(F): 0.0390
Structural formula: C22H30O5
CSD refcode: COHDIM01
Common name: Cembranolide
IUPAC name: 2-Acetoxy-12,13-epoxy-4,8,12-trimethyl-17-methylene-15-oxabicyclo(12.3.0)heptadeca-4,8-dien-16-one
Citation of a publication: S.J.Coval, R.W.Patton, J.M.Petrin, L.James, M.L.Rothofsky, S.L.Lin, M.Patel, J.K.Reed, A.T.McPhail, W.R.Bishop; Bioorg.Med.Chem.Lett., 6, (1996), 909
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
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Repository Files:
50940.cif 50940.crt 50940.GIF 50940.pdb 50940.sdt
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