Structure Database (LMSD)

Common Name
3beta-hydroxy-5beta-pregnan-20-one
Systematic Name
3β-hydroxy-5β-pregnan-20-one
Synonyms
  • (3beta,5beta)-3-hydroxypregnan-20-one
  • 3beta-Hydroxy-5beta-pregnane-20-one
  • 3beta-hydroxy-5beta-pregnane-20-one
  • 3beta-hydroxy-5beta-tetrahydroprogesterone
  • epipregnanolone
LM ID
LMST02030185
Status
Active
Exact Mass
Calculate m/z
318.25588
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)
AURFZBICLPNKBZ-GRWISUQFSA-N
InChi (Click to copy)
InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])(C(=O)C)CC[C@]13[H]

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 337.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.88
Molar Refractivity 92.42

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Created at
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Updated at
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