Chem
J-GLOBAL ID：200907019845467105   Nikkaji number：J2.774.464H

(8S,9R)-4-[(R)-1,2-Dihydroxyethyl]-8,9-epoxybicyclo[7.3.0]dodeca-1(12),4,10-triene-2,6-diyne

(8S,9R)-4-[(R)-1,2-ジヒドロキシエチル]-8,9-エポキシビシクロ[7.3.0]ドデカ-1(12),4,10-トリエン-2,6-ジイン
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： C14H10O3
Molecular formula furigana： C14-H10-O3
Molecular weight： 226.231
InChI： InChI=1S/C14H10O3/c15-9-12(16)10-3-1-5-13-14(17-13)8-2-4-11(14)7-6-10/h2-4,8,12-13,15-16H,9H2/t12-,13-,14+/m0/s1
InChI key： VMDQGDOIIPCVIS-MELADBBJSA-N
SMILES： OC[C@H](O)C1=CC#C[C@@H]2O[C@]32C=CC=C3C#C1
Systematic name  (4)：
  • (8S,9R)-4-[(R)-1,2-ジヒドロキシエチル]-8,9-エポキシビシクロ[7.3.0]ドデカ-1(12),4,10-トリエン-2,6-ジイン
  • (1R)-1-[(8S,10R)-9-オキサトリシクロ[8.3.0.08,10]トリデカン-1(13),4,11-トリエン-2,6-ジイン-4-イル]-1,2-エタンジオール
  • (1R)-1-[(1R,3S)-2-オキサトリシクロ[8.3.0.01,3]トリデカ-6,10,12-トリエン-4,8-ジイン-7-イル]エタン-1,2-ジオール
  • (1R)-1-[(1R,3S)-2-oxatricyclo[8.3.0.01,3]trideca-6,10,12-trien-4,8-diyn-7-yl]ethane-1,2-diol
Other name (2)：
  • (8S,9R)-4-[(R)-1,2-Dihydroxyethyl]-8,9-epoxybicyclo[7.3.0]dodeca-1(12),4,10-triene-2,6-diyne
  • (1R)-1-[(8S,10R)-9-Oxatricyclo[8.3.0.08,10]tridecane-1(13),4,11-triene-2,6-diyne-4-yl]-1,2-ethanediol
KEGG COMPOUND： C11446
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