Structure Database (LMSD)

Common Name
11beta-hydroxyprogesterone
Systematic Name
11β-hydroxypregn-4-ene-3,20-dione
Synonyms
  • (11beta)-11-hydroxypregn-4-ene-3,20-dione
  • 11beta-Hydroxyprogesterone
  • 21-deoxycorticosterone
LM ID
LMST02030168
Status
Active
Exact Mass
Calculate m/z
330.219495
Formula
Abbrev


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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)
BFZHCUBIASXHPK-ATWVFEABSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])[C@@H](O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

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 3.98
Molar Refractivity 92.78

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Created at
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Updated at
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