Structure Database (LMSD)

Common Name
6-methylprednisolone
Systematic Name
11β,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
Synonyms
  • (11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
LM ID
LMST02030158
Status
Active
Exact Mass
Calculate m/z
374.209325
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)
VHRSUDSXCMQTMA-UWKORSIYSA-N
InChi (Click to copy)
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1
SMILES (Click to copy)
[C@]12([C@]3([H])[C@]([H])([C@@]4([H])[C@](C)(C[C@@H]3O)[C@@](O)(C(=O)CO)CC4)CC(C)C1=CC(=O)C=C2)C

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 373.11
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.66
Molar Refractivity 101.11

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Created at
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Updated at
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