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
Simonellite.png
Names
IUPAC name
1,1-Dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene
Identifiers
CAS Number
  • 27530-79-6 check
3D model (JSmol)
  • Interactive image
ChemSpider
  • 153688 ☒
PubChem CID
  • 176455
CompTox Dashboard (EPA)
  • DTXSID00181949 Edit this at Wikidata
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,5-6,11H2,1-4H3 ☒
    Key: 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,5-6,11H2,1-4H3
    Key: XZDCNNOTTUOTGE-UHFFFAOYAJ
SMILES
  • CC(CCC3)(C)c2c3c1ccc(C(C)C)cc1cc2
Properties
Chemical formula
C19H24
Molar mass252.38 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. 


This article uses material from the Wikipedia article
 Metasyntactic variable, which is released under the 
Creative Commons
Attribution-ShareAlike 3.0 Unported License.