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Simonellite

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Simonellite
Names
Preferred IUPAC name 1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • 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,5-6,11H2,1-4H3Key: XZDCNNOTTUOTGE-UHFFFAOYSA-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,5-6,11H2,1-4H3Key: XZDCNNOTTUOTGE-UHFFFAOYAJ
SMILES
  • CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
Properties
Chemical formula C19H24
Molar mass 252.38 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

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