d-α-Tocotrienol

CAS Registry Number®

58864-81-6

CAS Name

d-α-Tocotrienol

Molecular Formula

C29H44O2

Molecular Mass

424.66

Cite this Page

d-α-Tocotrienol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58864-81-6 (retrieved 2024-11-22) (CAS RN: 58864-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    30-31 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1

InChIKey

InChIKey=RZFHLOLGZPDCHJ-XZXLULOTSA-N

SMILES

CC1=C2C(CC[C@](CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(C)O2)=C(C)C(O)=C1C

Canonical SMILES

OC=1C(=C(C=2OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CCC2C1C)C)C

Other Names for this Substance

  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-
  • (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol
  • (2R,3′E,7′E)-α-Tocotrienol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration