Tocopherol quinone

CAS Registry Number®

7559-04-8
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CAS Name

Tocopherol quinone

Molecular Formula

C29H50O3

Molecular Mass

446.71

Cite this Page

Tocopherol quinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7559-04-8 (retrieved 2024-04-26) (CAS RN: 7559-04-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120 °C @ Press: 2 x 10-3 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1

InChIKey

InChIKey=LTVDFSLWFKLJDQ-IEOSBIPESA-N

SMILES

C(C[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O)C1=C(C)C(=O)C(C)=C(C)C1=O

Canonical SMILES

O=C1C(=C(C(=O)C(=C1C)CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethyl-
  • p-Benzoquinone, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-
  • 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-, [3R-(3R*,7R*,11R*)]-
  • 2-[(3R,7R,11R)-3-Hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione
  • α-Tocopherol quinone

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Deleted or Replaced CAS Registry Numbers

484-62-8, 3361-14-6, 7722-00-1, 10318-22-6, 11006-89-6, 12712-93-5, 24177-44-4

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