Structure database (LMSD)

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LM IDLMPR01090047
Common Nameall-trans-13,14-dihydroretinol
Systematic Name13,14-dihydroretinol
Synonyms13,14-Dihydroretinol
Exact Mass
288.2453 (neutral)    Calculate m/z:
FormulaC20H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassRetinoids [PR0109]
PubChem CID446798
KEGG IDC15492
HMDB IDHMDB0011618
CHEBI ID52075
InChIKeyOVBOQVAIYMSUDT-HRYGCDPOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-12,17,21H,7,10,13-15H2,1-5H3/b9-6+,12-11+,16-8+
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SMILES
C1(CCCC(C)=C1/C=C/C(/C)=C/C=C/C(C)CCO)(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
340.43Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.87Molar
Refractivity
93.73