Structure Database (LMSD)

Common Name
11alpha,21-dihydroxyprogesterone
Systematic Name
11α,21-dihydroxypregn-4-ene-3,20-dione
Synonyms
  • Epicorticosterone
  • 11alpha-Corticosterone
LM ID
LMST02030344
Formula
Exact Mass
Calculate m/z
346.214411
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus welwitschiae (#1341132)
Eurotiomycetes (#147545)
Biotransformation of progesterone by Aspergillus welwitschiae CCMB 674 yields a novel metabolite 11α,21-dihydroxyprogesterone, alongside three known compounds,
Steroids, 2026
Pubmed ID: 42070679

String Representations

InChiKey (Click to copy)
OMFXVFTZEKFJBZ-IIJALIKYSA-N
InChi (Click to copy)
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17+,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)CO)C)CCC(=O)C=2

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings
Rotatable Bonds 2
Van der Waals Molecular Volume 349.66
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.24
Molar Refractivity 94.68

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Created at
11th May 2026
Updated at
11th May 2026