Chem
J-GLOBAL ID:200907026043392114   Nikkaji number:J513.309B

1α-(3,4-Dimethoxyphenyl)-6,7-(methylenedioxy)-3α-(hydroxymethyl)tetralin-2β-carboxylic acid γ-lactone

1α-(3,4-ジメトキシフェニル)-6,7-(メチレンジオキシ)-3α-(ヒドロキシメチル)テトラリン-2β-カルボン酸γ-ラクトン
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: C21H20O6
Molecular formula furigana: C21-H20-O6
Molecular weight: 368.385
InChI: InChI=1S/C21H20O6/c1-23-15-4-3-11(6-16(15)24-2)19-14-8-18-17(26-10-27-18)7-12(14)5-13-9-25-21(22)20(13)19/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13-,19-,20-/m0/s1
InChI key: MKWAWTRNIPHOLB-MRFFXTKBSA-N
SMILES: COc1ccc(cc1OC)[C@@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
Systematic name  (3):
  • 1α-(3,4-ジメトキシフェニル)-6,7-(メチレンジオキシ)-3α-(ヒドロキシメチル)テトラリン-2β-カルボン酸γ-ラクトン
  • (10S,11R,15R)-10-(3,4-ジメトキシフェニル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10S,11R,15R)-10-(3,4-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (1):
  • 1α-(3,4-Dimethoxyphenyl)-6,7-(methylenedioxy)-3α-(hydroxymethyl)tetralin-2β-carboxylic acid γ-lactone
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