Aromadendrene

Aromadendrene
Compound Structure:
Synonyms: (+)-AROMADENDRENE;489-39-4;Aromadendrene;(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene;72747-25-2;EINECS 207-694-6;MFCD00062951;(+/-)-Aromadendrene
Compound ID: NMPC-595
PubChem ID:

11095734

Molecular Formula: C15H24
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CCC2=C
InChIKey: ITYNGVSTWVVPIC-XVIXHAIJSA-N
About the compound:

GHS Hazard Statements

H227 (11.11%): Combustible liquid [Warning Flammable liquids]

H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

H315 (11.11%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (11.11%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H335 (11.11%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

299

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

            

Source Species: Acanthus montanus
Daniellia oliveri
Gongronema latifolium
Greenwayodendron suaveolens
Monodora myristica
Tithonia diversifolia
Araucaria cunninghamii
Eucalyptus cloeziana
Brachystegia eurycoma
Eucalyptus tereticornis
Tagetes erecta
Eugenia uniflora
Eucalyptus torelliana
Centratherum punctatum
Mucuna pruriens
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