7 alpha-hydroxy-4-cholesten-3-one

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 177
Total Number of Articles : 262
PubChem 123743
Molecular Formula

C27H44O2

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C

InChI

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

synonyms
  • 3862-25-7
  • 7alpha-Hydroxy-4-cholesten-3-one
  • 7alpha-Hydroxycholest-4-en-3-one
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Properties
Property Value
MW 400.6 g/mol
HBD 1
HBA 2
Rotatable Bond Count 5
Exact Mass 400.334130642 g/mol
Monoisotopic Mass 400.334130642 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 663
xlogp 7.3
Topological Polar Surface Area 37.3