Chem
J-GLOBAL ID：200907076441786766   Nikkaji number：J17.313D

Rotiorin

ロチオリン
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： C23H24O5
Molecular formula furigana： C23-H24-O5
Molecular weight： 380.440
InChI： InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
InChI key： CJMOMVNHRUTOJX-WCUWGRSFSA-N
SMILES： CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC3=C(C(=O)C)C(=O)O[C@]3(C)C(=O)C2=CO1
Systematic name  (3)：
  • (S)-3-アセチル-6-[(S,1E,3E)-3,5-ジメチル-1,3-ヘプタジエニル]-9a-メチル-2H-フロ[3,2-g][2]ベンゾピラン-2,9(9aH)-ジオン
  • (9aS)-3-アセチル-6-[(1E,3E,5S)-3,5-ジメチルヘプタ-1,3-ジエン-1-イル]-9a-メチル-2H,9H,9aH-フロ[3,2-g]イソクロメン-2,9-ジオン
  • (9aS)-3-acetyl-6-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-9a-methyl-2H,9H,9aH-furo[3,2-g]isochromene-2,9-dione
Other name (3)：
  • ロチオリン
  • Rotiorin
  • (S)-3-Acetyl-6-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione
CAS registry number： 27781-60-8
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