Chem
J-GLOBAL ID：200907076565193895   Nikkaji number：J2.140.453E

Sassafrin A

サッサフリンA
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： C27H32O7
Molecular formula furigana： C27-H32-O7
Molecular weight： 468.546
InChI： InChI=1S/C27H32O7/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/h7-9,11-15,17,24-25,28-29H,6,10H2,1-5H3/b8-7+,16-9+,19-13-/t15?,17?,24-,25+,27+/m1/s1
InChI key： FRERSNXTZNXIGN-OGDDRNBVSA-N
SMILES： CCC(C)/C=C(\C)/C=C/C(=C/C(=O)[C@@H]1[C@@H]2C3=COC(=CC3=CC(=O)[C@]2(C)OC1=O)CC(C)O)/O
Systematic name  (3)：
  • (6aR)-3-(2-ヒドロキシプロピル)-6aβ-メチル-9α-[(2Z,4E,6E)-1-オキソ-3-ヒドロキシ-6,8-ジメチル-2,4,6-デカトリエニル]-9,9aβ-ジヒドロ-8H-フロ[2,3-h]-2-ベンゾピラン-6,8(6aH)-ジオン
  • (6aR,9S,9aR)-9-[(2Z,4E,6E)-3-ヒドロキシ-6,8-ジメチルデカ-2,4,6-トリエノイル]-3-(2-ヒドロキシプロピル)-6a-メチル-6H,6aH,8H,9H,9aH-フロ[2,3-h]イソクロメン-6,8-ジオン
  • (6aR,9S,9aR)-9-[(2Z,4E,6E)-3-hydroxy-6,8-dimethyldeca-2,4,6-trienoyl]-3-(2-hydroxypropyl)-6a-methyl-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione
Other name (3)：
  • (6aR)-3-(2-Hydroxypropyl)-6aβ-methyl-9α-[(2Z,4E,6E)-1-oxo-3-hydroxy-6,8-dimethyl-2,4,6-decatrienyl]-9,9aβ-dihydro-8H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
  • サッサフリンA
  • Sassafrin A
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