Chem
J-GLOBAL ID：200907060664944815   Nikkaji number：J20.463C

Stramonin B

ストラモニンB
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： C15H18O4
Molecular formula furigana： C15-H18-O4
Molecular weight： 262.305
InChI： InChI=1S/C15H18O4/c1-8-3-4-10-12(19-13(17)15(10)7-18-15)14(2)9(8)5-6-11(14)16/h5-6,8-10,12H,3-4,7H2,1-2H3/t8-,9-,10+,12+,14-,15-/m0/s1
InChI key： AYSAVJUPCHRCGO-ODHINMQUSA-N
SMILES： C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@]32CO3)[C@@]2(C)[C@H]1C=CC2=O
Systematic name  (3)：
  • (3R,3aβ)-4,5,6,6aβ,9a,9bβ-ヘキサヒドロ-6α,9aα-ジメチルスピロ[アズレノ[4,5-b]フラン-3(2H),2′-オキシラン]-2,9(3aH)-ジオン
  • (3R,3aR,6S,6aR,9aR,9bR)-6,9a-ジメチル-3a,4,5,6,6a,9,9a,9b-オクタヒドロ-2H-スピロ[アズレノ[4,5-b]フラン-3,2'-オキシラン]-2,9-ジオン
  • (3R,3aR,6S,6aR,9aR,9bR)-6,9a-dimethyl-3a,4,5,6,6a,9,9a,9b-octahydro-2H-spiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,9-dione
Other name (3)：
  • ストラモニンB
  • Stramonin B
  • (3R,3aβ)-4,5,6,6aβ,9a,9bβ-Hexahydro-6α,9aα-dimethylspiro[azuleno[4,5-b]furan-3(2H),2′-oxirane]-2,9(3aH)-dione
CAS registry number： 65179-88-6
KEGG COMPOUND： C09552
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