Ligerin

Ligerin
Names
	IUPAC name 4-[(1R,2S,3S,4R)-4-(chloromethyl)-4-hydroxy-2-methoxy-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]oxy-4-oxobutanoic acid
Identifiers
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:207471;
ChEMBL	ChEMBL2332344;
ChemSpider	28637720;
PubChem CID	66553197;
	InChI InChI=1S/C20H31ClO7/c1-12(2)5-6-14-19(3,28-14)18-17(26-4)13(9-10-20(18,25)11-21)27-16(24)8-7-15(22)23/h5,13-14,17-18,25H,6-11H2,1-4H3,(H,22,23)/t13-,14-,17-,18-,19+,20+/m1/s1 Key: FKTJAQKUCINAIF-JNYDFHNISA-N;
	SMILES CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(CCl)O)OC(=O)CCC(=O)O)OC)C;
Properties
Chemical formula	C20H31ClO7
Molar mass	418.91 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Ligerin is an antiproliferative sesquiterpene with the molecular formula C₂₀H₃₁ClO₇ which is produced by a Penicillium species.^[1]^[2]^[3]

References

1 2 "Ligerin". pubchem.ncbi.nlm.nih.gov.
↑ Barre, Stephane La; Kornprobst, Jean-Michel (5 March 2014). Outstanding Marine Molecules: Chemistry, Biology, Analysis. John Wiley & Sons. ISBN 978-3-527-68153-2.
↑ Vansteelandt, Marieke; Blanchet, Elodie; Egorov, Maxim; Petit, Fabien; Toupet, Loïc; Bondon, Arnaud; Monteau, Fabrice; Le Bizec, Bruno; Thomas, Olivier P.; Pouchus, Yves François; Le Bot, Ronan; Grovel, Olivier (22 February 2013). "Ligerin, an Antiproliferative Chlorinated Sesquiterpenoid from a Marine-Derived Penicillium Strain". Journal of Natural Products. 76 (2): 297–301. doi:10.1021/np3007364.