
API0231523
Alpha-Tocopherol Acetate
Alpha-Tocopherol is vitamin E.
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CAS No.
52225-20-4
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Synonyms
alpha-Tocopherol acetate; Alfacol; D-alpha-tocopherol acetate
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CHEMBL ID
CHEMBL1047
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Indications
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Molecule Type
Small molecule
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Compound CID
86472
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Molecular Weight (g/mol)
472.7
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Molecular Formula
C31H52O3
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InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
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InChIKey
ZAKOWWREFLAJOT-CEFNRUSXSA-N
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SMILES
CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)C)C
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IUPAC Name
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate
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Exact Mass (Da)
472.39164552
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Monoisotopic Mass (Da)
472.39164552
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