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Common molecules sample 50977 - Reciprocal Net Log in
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Empirical formula: C30H42.58O10.29
a: 11.252 Å
b: 16.003 Å
c: 16.801 Å
α (alpha): 90.00 °
β (beta): 90.00 °
γ (gamma): 90.00 °
Volume: 3025.28 Å3
Space group: P212121
Calculated density: 1.247 g/cm3
Z: 4
Temperature: 20.0 °C
Formula weight: 567.882 g/mole
R(F): 0.0680
Structural formula: C30H42O10, 0.29(H2O1)
Common name: Pentaacetoxy taxadiene hydrate
Empirical formula - less solvent: C30H42O10
CSD refcode: MIFTOK
Short description: Taxadiene is a natural product found in Taxus baccata plants used to the synthesis of taxol.
IUPAC name: 5-Acetyl-2-deacetoxy-decinnamoyl-taxinine hydrate
Citation of a publication: S.K.Chattopadhyay, A.Sharon, U.Yadav, S.Srivastava, V.K.Mehta, P.R.Maulik; Acta Crystallogr.,Sect.E (Struct.Rep.Online), 58, (2002), 154
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
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Repository Files:
50977.cif 50977.crt 50977.GIF 50977.ort 50977.pdb
50977.sdt
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