[1aR-(1aα,7α,7aβ,7bα)]-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen
Viridiflorene
Grundinformationen
- CAS
21747-46-6- Standard-SMILES
CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1)C2(C)C- InChIKey
WGTRJVCFDUCKCM-FMKGYKFTSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
Viridiflorene is a carbotricyclic sesquiterpene obtained from several natural sources, including Australian Tea Tree oil (Melaleuca alternifolia.). It is a sesquiterpene and a carbotricyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- Viridiflorene
- IUPAC
- (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene
- Lokaler Name
- [1aR-(1aα,7α,7aβ,7bα)]-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen
- Englischer Name
- (+)-Ledene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
(+)-LedeneViridifloreneLedene21747-46-6Leden236ZZ41F70(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azuleneCHEBI:63444DTXSID60944355(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene1H-Cycloprop(e)azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, (+)-(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa(e)azulene
Weitere Namen anzeigen
ViridfloreneLEDENE, (+)-(RG)Guaiazulene Impurity 495.0% (sum of enantiomers, GC)(+)-LEDENE 95+% MIXTURE OF ISOMERS(+)-Ledene >=95.0% (sum of enantiomers, GC)(1S,2R,3R,11R)-3,3,7,11-TETRAMETHYL-TRICYCLO[6.3.0.0(2.4)]UNDEC-7-ENE
(1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa(e)azuleneRefChem:1101009DTXCID901476431244-565-3Varidiflorene(+)-1a,2,3,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene; Leden; Viridiflorene(+)-viridifloreneEINECS 244-565-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 321
Physikochemische Eigenschaften
- Schmelzpunkt
- 269 °C · 269°C
- Siedepunkt
- 268 · 268-270 °C (lit.)
- Dichte
- 0.927 g/mL · 0.927 g/mL at 20 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.504
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Sparingly), Ethanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- BRN
- 2554786 · 2554786
- InChI
- 1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10,12-14H,5-8H2,1-4H3/t10-,12-,13-,14-/m1/s1
- InChIKey
- WGTRJVCFDUCKCM-FMKGYKFTSA-N
- SMILES
- C[C@@H]1CCC2=C(C)CC[C@@H]3[C@H]([C@H]12)C3(C)C
- LogP
- 6.447 · 6.447 (est)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
Beschreibung(+)-Ledene, also called leden or viridiflorene, is an organic compound that belongs to the group of 5, 10-cycloaromadendrane sesquiterpenoids. These compounds are derived from the aromadendrane skeleton through a cyclization reaction between carbon atoms 5 and 10. (+)-Ledene is mainly found in saliva and is considered to have low solubility in water and a relatively neutral nature. In cellular environments, (+)-ledene is predominantly present in the cell membrane (predicted based on logP) and cytoplasm.
Verwenden(+)-Ledene is an essential oil that is synthesized by viridiflorene synthase. It has been studied as an antioxidant, antimicrobial, antibiofilm and to treat various cancers.
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