Chem
J-GLOBAL ID：200907058601385633   Nikkaji number：J661.699B

Nemerosin

ネメロシン
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： C22H22O7
Molecular formula furigana： C22-H22-O7
Molecular weight： 398.411
InChI： InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
InChI key： CJLVKDPRUXBTJQ-PLWLOYALSA-N
SMILES： COc1cc(/C=C/2\[C@@H](Cc3ccc4OCOc4c3)COC2=O)cc(OC)c1OC
Systematic name  (3)：
  • (3E,4R)-4β-(1,3-ベンゾジオキソール-5-イルメチル)ジヒドロ-3-(3,4,5-トリメトキシベンジリデン)-2(3H)-フラノン
  • (3E,4R)-4-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-3-[(3,4,5-トリメトキシフェニル)メチリデン]オキソラン-2-オン
  • (3E,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
Other name (3)：
  • ネメロシン
  • Nemerosin
  • (3E,4R)-4β-(1,3-Benzodioxol-5-ylmethyl)dihydro-3-(3,4,5-trimethoxybenzylidene)-2(3H)-furanone
CAS registry number： 17187-79-0
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