Germacrene D

Germacrene D
Compound Structure:
Synonyms: (1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene; (-)-Germacrene D; Germacrene D; (1E,6E,8S)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene; (1E,5E)-germacra-1(10),4(15),5-triene
Compound ID: NMPC-1077
PubChem ID:

5317570

Molecular Formula: C15H24
Canonical SMILES: CC1=CCCC(=C)C=CC(CC1)C(C)C
InChIKey: GAIBLDCXCZKKJE-RXJOXMPGSA-N
About the compound:

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H304 (78.85%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

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

1

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0²

Heavy Atom Count

15

Formal Charge

0

Complexity

266

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

Source Species: Crateva adansonii
Heeria insignis
Ocimum basilicum
Solanum nigrum
Tithonia diversifolia
Cymbopogon citratus
Tithonia rotundifolia
Araucaria cunninghamii
Boswellia dalzielii
Brachystegia eurycoma
Acalypha segetalis
Eugenia uniflora
Centratherum punctatum
Morinda lucida
Polyalthia suaveolens
Pteris togoensis
Pyrenacantha staudtii
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