Structure Database (LMSD)

H OH O O H H
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
Formula
C21H30O3
Exact Mass
Calculate m/z
330.219495
Sum Composition
ST 21:3;O3
Status
Active
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Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

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
C01176
HMDB ID
HMDB0000374
CHEBI ID
17252
PubChem CID
6238
SwissLipids ID
SLM:000485347
Cayman ID
33154
PDB ID
3QZ
GuidePharm ID
5104

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

Reactions

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Created at
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Updated at
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