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[1]

Identifiers

3D model (JSmol)

* Interactive image

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

Tracking categories (test):

* SizeSet

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

## References

1. ↑ 1.0 1.1 "Ligerin" (in en). pubchem.ncbi.nlm.nih.gov. https://pubchem.ncbi.nlm.nih.gov/compound/Ligerin#section=Names-and-Identifiers.
2. ↑ Barre, Stephane La; Kornprobst, Jean-Michel (5 March 2014) (in en). Outstanding Marine Molecules: Chemistry, Biology, Analysis. John Wiley & Sons. ISBN 978-3-527-68153-2.
3. ↑ Vansteelandt, Marieke; Blanchet, Elodie; Egorov, Maxim; Petit, Fabien; Toupet, Loïc; Bondon, Arnaud; Monteau, Fabrice; Le Bizec, Bruno et al. (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.

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*[CID]: Compound ID