Simonellite

Simonellite (1,1-dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene) is a polycyclic aromatic hydrocarbon with a chemical formula C19H24. It is similar to retene.

Simonellite
Names
Preferred IUPAC name
1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
Identifiers
3D model (JSmol)
ChemSpider
UNII
  • InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3 ☒N
    Key: XZDCNNOTTUOTGE-UHFFFAOYSA-N ☒N
  • InChI=1/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3
    Key: XZDCNNOTTUOTGE-UHFFFAOYAJ
  • CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
Properties
C19H24
Molar mass 252.38 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Simonellite occurs naturally as an organic mineral derived from diterpenes present in conifer resins.[1] It is named after its discoverer, Vittorio Simonelli (1860–1929), an Italian geologist. It forms colorless to white orthorhombic crystals.[2] It occurs in Fognano, Tuscany, Italy.

Simonellite, together with cadalene, retene and ip-iHMN, is a biomarker of higher plants, which makes it useful for paleobotanic analysis of rock sediments.

See also

References
  1. Simonellite at Webmineral.com
  2. Simonellite at mindat.org
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