Simonellite
Simonellite
Names
Preferred IUPAC name
1,1-Dimethyl-6-(propan-2-yl)-1,2,3,4-tetrahydrophenanthrene
Identifiers
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
C19 H24
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).
Chemical compound
Simonellite (1,1-dimethyl-1,2,3,4-tetrahydro-7-isopropyl phenanthrene) is a polycyclic aromatic hydrocarbon with a chemical formula C19 H24 . It is similar to retene .
Simonellite occurs naturally as an organic mineral derived from diterpenes present in conifer resins .[ 1] Vittorio Simonelli (1860–1929), an Italian geologist . It forms colorless to white orthorhombic crystals.[ 2] 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 .[ citation needed ]
