Germacrene

Germacrene
Compound Structure:
Synonyms: (1E,5E,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene; (+)-germacrene A; germacrene a; (+) Germacrene A; (+)-(R)-germacrene A; Germacrene; 8-Isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene; (1E,4E)-germacra-1(10),4,11(12)-triene
Compound ID: NMPC-1075
PubChem ID:

9548705

Molecular Formula: C15H24
Canonical SMILES: CC1=CCCC(=CCC(CC1)C(=C)C)C
InChIKey: XMRKUJJDDKYUHV-DFSVIBJJSA-N
About the compound:
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

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

278

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: Hibiscus surattensis
Eucalyptus tereticornis
Morinda lucida
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