Chem
J-GLOBAL ID：200907012996714886   Nikkaji number：J56.297A

Rubrorotiorin

ルブロロチオリン
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： C23H23ClO5
Molecular formula furigana： C23-H23-CL-O5
Molecular weight： 414.880
InChI： InChI=1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23-/m0/s1
InChI key： QJSWSNAZIVGTFZ-NPQXMUAYSA-N
SMILES： CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(=C3C2=CO1)C(=O)C
Systematic name  (3)：
  • (S)-9-アセチル-5-クロロ-3-[(S,2E,4E)-3,5-ジメチル-1,3-ヘプタジエニル]-6a-メチル-6H-フロ[2,3-h][2]ベンゾピラン-6,8(6aH)-ジオン
  • (6aS)-9-アセチル-5-クロロ-3-[(1E,3E,5S)-3,5-ジメチルヘプタ-1,3-ジエン-1-イル]-6a-メチル-6H,6aH,8H-フロ[2,3-h]イソクロメン-6,8-ジオン
  • (6aS)-9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-6H,6aH,8H-furo[2,3-h]isochromene-6,8-dione
Other name (5)：
  • 7-epi-5-Chloroisorotiorin
  • Rubrorotiorin
  • 7-epi-5-クロロイソロチオリン
  • ルブロロチオリン
  • (S)-9-Acetyl-5-chloro-3-[(S,2E,4E)-3,5-dimethyl-1,3-heptadienyl]-6a-methyl-6H-furo[2,3-h][2]benzopyran-6,8(6aH)-dione
CAS registry number： 28763-04-4
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