7-Dehydrocholesterol 3D structure

7-Dehydrocholesterol (also called Provitamin D3, Cholesta-5,7-dien-3beta-ol) has the formula C₂₇H₄₄O and a molar mass of 384.6 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: C₂₇H₄₄O
Molar mass: 384.6 g/mol
PubChem CID: 439423
Heavy atoms: 28
Category: Fatty acids and lipids

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SMILES	`C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C`
PubChem CID	439423
Other names	Provitamin D3, Cholesta-5,7-dien-3beta-ol, 7,8-Didehydrocholesterol, 5,7-Cholestadien-3-beta-ol, Dehydrocholesterol

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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