Chem
J-GLOBAL ID：200907071318447777   Nikkaji number：J2.140.456J

Sassafrin D

サッサフリンD
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： C27H32O8
Molecular formula furigana： C27-H32-O8
Molecular weight： 484.545
InChI： InChI=1S/C27H32O8/c1-6-15(2)9-7-8-10-21(30)20-14-19-17(12-18(29)11-16(3)28)13-22(31)27(4,34)24(19)23(25(20)32)26(33)35-5/h7-10,13-16,28,32,34H,6,11-12H2,1-5H3/b9-7+,10-8+
InChI key： BFBRJLMAZLFBHK-FIFLTTCUSA-N
SMILES： CCC(C)/C=C/C=C/C(=O)c1cc2C(=CC(=O)C(C)(O)c2c(C(=O)OC)c1O)CC(=O)CC(C)O
Systematic name  (3)：
  • 2,8-ジヒドロキシ-3-[(2E,4E)-1-オキソ-6-メチル-2,4-オクタジエニル]-5-(2-オキソ-4-ヒドロキシペンチル)-7-オキソ-8-メチル-7,8-ジヒドロナフタレン-1-カルボン酸メチル
  • メチル 2,8-ジヒドロキシ-5-(4-ヒドロキシ-2-オキソペンチル)-8-メチル-3-[(2E,4E)-6-メチルオクタ-2,4-ジエノイル]-7-オキソ-7,8-ジヒドロナフタレン-1-カルボキシラート
  • methyl 2,8-dihydroxy-5-(4-hydroxy-2-oxopentyl)-8-methyl-3-[(2E,4E)-6-methylocta-2,4-dienoyl]-7-oxo-7,8-dihydronaphthalene-1-carboxylate
Other name (3)：
  • 2,8-Dihydroxy-3-[(2E,4E)-1-oxo-6-methyl-2,4-octadienyl]-5-(2-oxo-4-hydroxypentyl)-7-oxo-8-methyl-7,8-dihydronaphthalene-1-carboxylic acid methyl ester
  • サッサフリンD
  • Sassafrin D
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