Structure database (LMSD)

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LM IDLMPR02020058
Common Namedidesmethyl tocotrienol
Systematic Name2R-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-
6-ol
Synonyms3,4-dihydro-2-(4,8,12-trimethyltrideca-3'(E),7'(E),11'-trienyl)-2H-1-
benzopyran-6-ol
Exact Mass
368.2715 (neutral)    Calculate m/z:
FormulaC25H36O2
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassVitamin E [PR0202]
PubChem CID5460702
CHEBI ID33278
InChIKeyWSTGHGHPTQPFAP-JMFFIKRNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)1
5-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-1
2+/t24-/m1/s1
SMILESC1C(=CC=C2O[C@@]([H])(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings2Aromatic Rings1Rotatable Bonds9
 van der Waals
Molecular Volume
407.18Topological Polar
Surface Area
31.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.57Molar
Refractivity
116.00