Nootkatone 3D structure

Nootkatone (also called Nootkanone, nootkaton) has the formula C₁₅H₂₂O and a molar mass of 218.33 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula: C₁₅H₂₂O
Molar mass: 218.33 g/mol
PubChem CID: 1268142
Heavy atoms: 16
Category: Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILES	`C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C`
PubChem CID	1268142
Other names	Nootkanone, nootkaton, FEMA No. 3166

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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