Ambroxide 3D structure

Ambroxide (also called Ambroxan, FEMA No. 3471) has the formula C₁₆H₂₈O and a molar mass of 236.39 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: C₁₆H₂₈O
Molar mass: 236.39 g/mol
PubChem CID: 10857465
Heavy atoms: 17
Category: Food, flavor and fragrance

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
SMILES	`C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C`
PubChem CID	10857465
Other names	Ambroxan, FEMA No. 3471, 8alpha,12-Oxido-13,14,15,16-tetranorlabdane, Ambroxane

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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