α-Tocopheryl retinoate

CAS Registry Number®

40516-49-2

CAS Name

α-Tocopheryl retinoate

Molecular Formula

C49H76O3

Molecular Mass

713.13

Cite this Page

α-Tocopheryl retinoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40516-49-2 (retrieved 2024-11-21) (CAS RN: 40516-49-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H76O3/c1-34(2)19-14-20-35(3)21-15-22-36(4)25-17-31-49(13)32-29-43-42(10)46(40(8)41(9)47(43)52-49)51-45(50)33-38(6)24-16-23-37(5)27-28-44-39(7)26-18-30-48(44,11)12/h16,23-24,27-28,33-36H,14-15,17-22,25-26,29-32H2,1-13H3/b24-16+,28-27+,37-23+,38-33+/t35-,36-,49-/m1/s1

InChIKey

InChIKey=RIQIJXOWVAHQES-UNAKLNRMSA-N

SMILES

CC1=C2C(=C(C)C(OC(/C=C(/C=C/C=C(/C=C/C=3C(C)(C)CCCC3C)\C)\C)=O)=C1C)CC[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O2

Canonical SMILES

O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C(C=CC=C(C=CC3=C(C)CCCC3(C)C)C)C

Other Names for this Substance

  • Retinoic acid, (2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester
  • Retinoic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester, [2R-[2R*(4R*,8R*)]]-
  • α-Tocopheryl retinoate
  • d-α-Tocopheryl retinoate
  • d-α-Tocopherol retinoate

Deleted or Replaced CAS Registry Numbers

129446-33-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration