Structure Database (LMSD)

Common Name
17alpha-hydroxyprogesterone
Systematic Name
17-hydroxypregn-4-ene-3,20-dione
Synonyms
  • 17-hydroxyprogesterone
  • 17alpha-Hydroxy-4-pregnene-3,20-dione
  • 17alpha-Hydroxy-progesterone
  • 17alpha-Hydroxyprogesterone
  • Pregn-4-ene-3,20-dione-17-ol
  • hydroxyprogesterone
LM ID
LMST02030161
Status
Active
Exact Mass
Calculate m/z
330.219495
Formula
Abbrev




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
DBPWSSGDRRHUNT-CEGNMAFCSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(C(C)=O)O)[C@]13[H])CCC(=O)C=2

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 340.87
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.12
Molar Refractivity 92.85

Admin

Created at
-
Updated at
-