Structure Database (LMSD)

Common Name
didesmethyl tocotrienol
Systematic Name
2R-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
  • 3,4-dihydro-2-(4,8,12-trimethyltrideca-3'(E),7'(E),11'-trienyl)-2H-1-benzopyran-6-ol
LM ID
LMPR02020058
Status
Active
Exact Mass
Calculate m/z
368.27153
Formula


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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)
WSTGHGHPTQPFAP-JMFFIKRNSA-N
InChi (Click to copy)
InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+/t24-/m1/s1
SMILES (Click to copy)
C1C(=CC=C2O[C@@]([H])(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 1
Rotatable Bonds 9
Van der Waals Molecular Volume 407.18
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.57
Molar Refractivity 116.00

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Created at
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Updated at
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