Structure Database (LMSD)

Common Name
pregnan-21-ol
Systematic Name
pregnan-21-ol
Synonyms
  • Pregnan-21-ol
  • pregnan-21-ol
LM ID
LMST02030174
Status
Active
Exact Mass
Calculate m/z
304.276615
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)
DBMUNIJZUYVPCQ-XFNFOBRPSA-N
InChi (Click to copy)
InChI=1S/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3/t15?,16-,17+,18+,19+,20+,21-/m1/s1
SMILES (Click to copy)
[C@@]12([H])CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])CCO

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 331.21
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.70
Molar Refractivity 92.03

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Created at
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Updated at
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