Structure Database (LMSD)

Common Name
ergosta-5,7,22,24(28)-tetraen-3beta-ol
Systematic Name
ergosta-5,7,22E,24(28)-tetraen-3β-ol
Synonyms
  • (22E)-24-methylcholesta-5,7,22,24(24(1))-tetraen-3beta-ol
  • Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol
  • Ergosta-5,7,22,24(241)-tetraen-3beta-ol
  • Ergosta-5,7,22,24(28)-tetraen-3beta-ol
  • ergosta-5,7,22,24(24(1))-tetraen-3beta-ol
LM ID
LMST01031015
Status
Active
Exact Mass
Calculate m/z
394.323565
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)
SQFQJKZSFOZDJY-CVGLIYDESA-N
InChi (Click to copy)
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)CC2=CC=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)/C=C/C(=C)C(C)C)CC[C@]13[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 441.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.54
Molar Refractivity 123.97

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Created at
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Updated at
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