Chem
J-GLOBAL ID：200907089330690357   Nikkaji number：J14.853I

Isotenulin

イソテヌリン
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： C17H22O5
Molecular formula furigana： C17-H22-O5
Molecular weight： 306.358
InChI： InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11+,12+,14-,15-,17+/m1/s1
InChI key： NEIIKBWBBCJSQU-PUYFHLGZSA-N
SMILES： C[C@@H]1[C@@H]2[C@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H]2OC(=O)C)OC1=O
Systematic name  (3)：
  • (3R)-4β-アセトキシ-3,3aα,4,4a,7aα,8,9,9aβ-オクタヒドロ-3,4aβ,8α-トリメチルアズレノ[6,5-b]フラン-2,5-ジオン
  • (3R,3aR,4R,4aR,7aR,8R,9aS)-3,4a,8-トリメチル-2,5-ジオキソ-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-アズレノ[6,5-b]フラン-4-イル アセタート
  • (3R,3aR,4R,4aR,7aR,8R,9aS)-3,4a,8-trimethyl-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl acetate
Other name (3)：
  • イソテヌリン
  • Isotenulin
  • (3R)-4β-Acetoxy-3,3aα,4,4a,7aα,8,9,9aβ-octahydro-3,4aβ,8α-trimethylazuleno[6,5-b]furan-2,5-dione
CAS registry number： 10092-04-3
KEGG COMPOUND： C09487
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