Chem
J-GLOBAL ID:200907050668951721   Nikkaji number:J2.369.932J

(1S,3aα,6aα)-1,3-Dibromo-2,2-dimethoxy-4β,5α,6β-trihydroxyoctahydropentalene-1β,3β-dicarboxylic acid 1,6:3,4-dilactone

(1S,3aα,6aα)-1,3-ジブロモ-2,2-ジメトキシ-4β,5α,6β-トリヒドロキシオクタヒドロペンタレン-1β,3β-ジカルボン酸1,6:3,4-ジラクトン
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: C12H12Br2O7
Molecular formula furigana: C12-H12-BR2-O7
Molecular weight: 428.029
InChI: InChI=1S/C12H12Br2O7/c1-18-12(19-2)10(13)3-4-7(21-9(17)11(4,12)14)5(15)6(3)20-8(10)16/h3-7,15H,1-2H3/t3-,4+,5+,6-,7+,10+,11-
InChI key: VDOYEGDAZJBKTG-KVSUQISISA-N
SMILES: COC1(OC)[C@]2(Br)[C@H]3[C@@H](OC2=O)[C@H](O)[C@H]2OC(=O)[C@]1(Br)[C@@H]32
Systematic name  (3):
  • (1S,3aα,6aα)-1,3-ジブロモ-2,2-ジメトキシ-4β,5α,6β-トリヒドロキシオクタヒドロペンタレン-1β,3β-ジカルボン酸1,6:3,4-ジラクトン
  • (1R,4R,6S,9S,10S,11R,12R)-4,6-ジブロモ-12-ヒドロキシ-5,5-ジメトキシ-2,8-ジオキサテトラシクロ[7.2.1.04,11.06,10]ドデカン-3,7-ジオン
  • (1R,4R,6S,9S,10S,11R,12R)-4,6-dibromo-12-hydroxy-5,5-dimethoxy-2,8-dioxatetracyclo[7.2.1.04,11.06,10]dodecane-3,7-dione
Other name (1):
  • (1S,3aα,6aα)-1,3-Dibromo-2,2-dimethoxy-4β,5α,6β-trihydroxyoctahydropentalene-1β,3β-dicarboxylic acid 1,6:3,4-dilactone
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