Chem
J-GLOBAL ID:200907017461276008   Nikkaji number:J2.626.929F

(2E,6E,13R)-1-(2-Hydroxy-3-methyl-5-methoxyphenyl)-3,7,11,15-tetramethyl-13-hydroxy-2,6,14-hexadecatriene-5,12-dione

(2E,6E,13R)-1-(2-ヒドロキシ-3-メチル-5-メトキシフェニル)-3,7,11,15-テトラメチル-13-ヒドロキシ-2,6,14-ヘキサデカトリエン-5,12-ジオン
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: C28H40O5
Molecular formula furigana: C28-H40-O5
Molecular weight: 456.623
InChI: InChI=1S/C28H40O5/c1-18(2)13-26(30)28(32)21(5)10-8-9-19(3)14-24(29)15-20(4)11-12-23-17-25(33-7)16-22(6)27(23)31/h11,13-14,16-17,21,26,30-31H,8-10,12,15H2,1-7H3/b19-14+,20-11+/t21?,26-/m1/s1
InChI key: HBKSTRSDLUAESY-NAAXBWTRSA-N
SMILES: COc1cc(C)c(O)c(C/C=C(\C)/CC(=O)/C=C(\C)/CCCC(C)C(=O)[C@H](O)C=C(C)C)c1
Systematic name  (3):
  • (2E,6E,13R)-1-(2-ヒドロキシ-3-メチル-5-メトキシフェニル)-3,7,11,15-テトラメチル-13-ヒドロキシ-2,6,14-ヘキサデカトリエン-5,12-ジオン
  • (2E,6E,13R)-13-ヒドロキシ-1-(2-ヒドロキシ-5-メトキシ-3-メチルフェニル)-3,7,11,15-テトラメチルヘキサデカ-2,6,14-トリエン-5,12-ジオン
  • (2E,6E,13R)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione
Other name (1):
  • (2E,6E,13R)-1-(2-Hydroxy-3-methyl-5-methoxyphenyl)-3,7,11,15-tetramethyl-13-hydroxy-2,6,14-hexadecatriene-5,12-dione
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