Structure Database (LMSD)

Common Name
All-Trans-3,4-Didehydro Retinol
Systematic Name
3,4-didehydro-retinol
Synonyms
LM ID
LMPR01090008
Status
Active
Exact Mass
Calculate m/z
284.214015
Formula


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)
XWCYDHJOKKGVHC-OVSJKPMPSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/CO)/C)/C)=C(C)C=C1

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
VVA0002
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 335.15
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.57
Molar Refractivity 93.61

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Created at
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Updated at
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