Chem
J-GLOBAL ID：200907007668372052   Nikkaji number：J2.140.455A

Sassafrin C

サッサフリンC
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： C27H30O7
Molecular formula furigana： C27-H30-O7
Molecular weight： 466.530
InChI： InChI=1S/C27H30O7/c1-6-15(2)9-16(3)7-8-19(29)13-22(30)24-25-21-14-33-20(10-17(4)28)11-18(21)12-23(31)27(25,5)34-26(24)32/h7-9,11-15,17,28,30H,6,10H2,1-5H3/b8-7+,16-9+,22-13-/t15?,17?,27-/m0/s1
InChI key： FWTGCDREDHTRMA-VWYKBYNNSA-N
SMILES： CCC(C)/C=C(\C)/C=C/C(=O)/C=C(\O)/C1=C2C3=COC(=CC3=CC(=O)[C@]2(C)OC1=O)CC(C)O
Systematic name  (3)：
  • (6aR)-3-(2-ヒドロキシプロピル)-6aβ-メチル-9-[(1Z,4E,6E)-1-ヒドロキシ-3-オキソ-6,8-ジメチル-1,4,6-デカトリエニル]-8H-フロ[2,3-h]-2-ベンゾピラン-6,8(6aH)-ジオン
  • (6aR)-9-[(1Z,4E,6E)-1-ヒドロキシ-6,8-ジメチル-3-オキソデカ-1,4,6-トリエン-1-イル]-3-(2-ヒドロキシプロピル)-6a-メチル-6H,6aH,8H-フロ[2,3-h]イソクロメン-6,8-ジオン
  • (6aR)-9-[(1Z,4E,6E)-1-hydroxy-6,8-dimethyl-3-oxodeca-1,4,6-trien-1-yl]-3-(2-hydroxypropyl)-6a-methyl-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione
Other name (3)：
  • (6aR)-3-(2-Hydroxypropyl)-6aβ-methyl-9-[(1Z,4E,6E)-1-hydroxy-3-oxo-6,8-dimethyl-1,4,6-decatrienyl]-8H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
  • サッサフリンC
  • Sassafrin C
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