Common molecules sample 50947

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Empirical formula:	C₂₇H₄₀O₄
a:	12.139 Å
b:	14.635 Å
c:	27.951 Å
α (alpha):	90.00 °
β (beta):	90.00 °
γ (gamma):	90.00 °
Volume:	4965.61 Å³
Space group:	P212121
Calculated density:	1.147 g/cm³
Z:	8
Temperature:	22.0 °C
Formula weight:	428.612 g/mole
R(F):	0.0390
Structural formula:	C₂₇H₄₀O₄
CSD refcode:	ZAMZOC
Common name:	Scalaradial
Short description:	Scalaradial is a compound found in marine sponges.
Keyword:	anti-inflammatory
Keyword:	sponge
IUPAC name:	12-Acetyloxy-4,4,8,19-tetramethyl-D-homoandrost-16-ene-17,17adicarboxaldehyde
Layman's explanation:	Scalaradial is a terpenoid that serves as a major metabolite in sponges of the Cacospongia genus (Pacific). It is very useful therapeutically because it serves as a potent inhibitor of enzymes that cause inflammation, especially those in bee venom. In nature, scalaradial is ingested by mollusks which transform it into various metabolites that are used for defensive purposes. Research is currently underway to determine if Cacospongia sponges can be grown and harvested for their scalaradial.
Citation of a publication:	R.Puliti, C.A.Mattia, L.Mazzarella; Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 51, (1995), 1703
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50947.cif	50947.crt	50947.GIF	50947.pdb	50947.sdt
50947f.crt	50947f.pdb	50947f.sdt