17-ethynyl-5-androstene-3, 7, 17-triol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 4
PubChem 16739648
Molecular Formula

C21H30O3

SMILES

C[C@]12CC[C@@H](CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O)O

InChI

InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1

synonyms
  • Triolex
  • HE3286
  • 1001100-69-1
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Properties
Property Value
MW 330.5 g/mol
HBD 3
HBA 3
Rotatable Bond Count 1
Exact Mass 330.21949481 g/mol
Monoisotopic Mass 330.21949481 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 630
xlogp 2.2
Topological Polar Surface Area 60.7