Chem
J-GLOBAL ID：200907023343964471   Nikkaji number：J2.007.534A

8-Methyltocol retinoate

レチノイン酸d-δ-トコフェリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C47H72O3
Molecular formula furigana： C47-H72-O3
Molecular weight： 685.090
InChI： InChI=1S/C47H72O3/c1-34(2)17-12-18-35(3)19-13-20-36(4)23-15-29-47(11)30-27-41-33-42(32-40(8)45(41)50-47)49-44(48)31-38(6)22-14-21-37(5)25-26-43-39(7)24-16-28-46(43,9)10/h14,21-22,25-26,31-36H,12-13,15-20,23-24,27-30H2,1-11H3/b22-14+,26-25+,37-21+,38-31+/t35-,36-,47-/m1/s1
InChI key： ZOUSMOLZQVSXSV-KYNKEJHRSA-N
SMILES： CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(OC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C3=C(C)CCCC3(C)C)cc(C)c2O1
Systematic name  (3)：
  • 8-メチルトコールレチノアート
  • (2R)-2,8-ジメチル-2-[(4R,8R)-4,8,12-トリメチルトリデシル]-3,4-ジヒドロ-2H-1-ベンゾピラン-6-イル (2E,4E,6E,8E)-3,7-ジメチル-9-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ノナ-2,4,6,8-テトラエノアート
  • (2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Other name (3)：
  • 8-Methyltocol retinoate
  • レチノイン酸d-δ-トコフェリル
  • Retinoic acid d-δ-tocopheryl
Thsaurus map：
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