Pregnenolone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 303
Total Number of Articles : 802
PubChem 8955
Molecular Formula

C21H32O2

SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1

synonyms
  • pregnenolone
  • 145-13-1
  • 3beta-Hydroxypregn-5-en-20-one
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Properties
Property Value
MW 316.5 g/mol
HBD 1
HBA 2
Rotatable Bond Count 1
Exact Mass 316.240230259 g/mol
Monoisotopic Mass 316.240230259 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 550
xlogp 4.2
Topological Polar Surface Area 37.3