Chem
J-GLOBAL ID：200907096782630072   Nikkaji number：J14.453C

Bigelovin

ビゲロビン
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： C17H20O5
Molecular formula furigana： C17-H20-O5
Molecular weight： 304.342
InChI： InChI=1S/C17H20O5/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/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
InChI key： DCNRYQODUSSOKC-MMLVVLEOSA-N
SMILES： C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)C)[C@@]2(C)[C@H]1C=CC2=O
Systematic name  (3)：
  • (3aR)-4α-アセトキシ-4aβ,8α-ジメチル-3-メチレン-3,3a,4,4a,7aα,8,9,9aβ-オクタヒドロアズレノ[6,5-b]フラン-2,5-ジオン
  • (3aR,4S,4aR,7aR,8R,9aS)-4a,8-ジメチル-3-メチリデン-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
  • (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl acetate
Other name (3)：
  • ビゲロビン
  • Bigelovin
  • (3aR)-4α-Acetoxy-4aβ,8α-dimethyl-3-methylene-3,3a,4,4a,7aα,8,9,9aβ-octahydroazuleno[6,5-b]furan-2,5-dione
CAS registry number： 3668-14-2
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