Structure Database (LMSD)

Common Name
21-hydroxypregnenolone
Systematic Name
3β,21-dihydroxypregn-5-en-20-one
Synonyms
  • (3beta)-3,21-dihydroxypregn-5-en-20-one
  • 21-Hydroxypregnenolone
LM ID
LMST02030167
Status
Active
Exact Mass
Calculate m/z
332.235145
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)
MOIQRAOBRXUWGN-WPWXJNKXSA-N
InChi (Click to copy)
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1
SMILES (Click to copy)
C1C[C@H](O)CC2=CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1([C@]3(CC[C@@H]1C(=O)CO)[H])C

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 343.51
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.06
Molar Refractivity 94.29

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Created at
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Updated at
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