7-dehydrocholesterol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 80
Total Number of Articles : 150
PubChem 439423
Molecular Formula

C27H44O

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

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1

synonyms
  • 7-Dehydrocholesterol
  • 434-16-2
  • Provitamin D3
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Properties
Property Value
MW 384.6 g/mol
HBD 1
HBA 1
Rotatable Bond Count 5
Exact Mass 384.339216023 g/mol
Monoisotopic Mass 384.339216023 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 643
xlogp 8
Topological Polar Surface Area 20.2