Chem
J-GLOBAL ID：200907048155854220   Nikkaji number：J2.140.454C

Sassafrin B

サッサフリンB
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： C26H30O7
Molecular formula furigana： C26-H30-O7
Molecular weight： 454.519
InChI： InChI=1S/C26H30O7/c1-5-15(2)8-6-7-9-18(28)13-21(29)23-24-20-14-32-19(10-16(3)27)11-17(20)12-22(30)26(24,4)33-25(23)31/h6-9,11-16,23-24,27-28H,5,10H2,1-4H3/b8-6+,9-7+,18-13-/t15?,16?,23-,24+,26+/m1/s1
InChI key： OISNJDUSFHGVBH-PTBXKFMTSA-N
SMILES： CCC(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-8-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-8-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-8-methyldeca-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-8-methyl-2,4,6-decatrienyl]-9,9aβ-dihydro-8H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
  • サッサフリンB
  • Sassafrin B
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