Chem
J-GLOBAL ID：200907053595352033   Nikkaji number：J34.172J

Alliacol A

アリアコールA
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： C15H20O4
Molecular formula furigana： C15-H20-O4
Molecular weight： 264.321
InChI： InChI=1S/C15H20O4/c1-8-5-6-13(17)9(2)10(16)18-14(13)7-12(3,4)11-15(8,14)19-11/h8,11,17H,2,5-7H2,1,3-4H3/t8-,11-,13+,14+,15-/m1/s1
InChI key： VLJBPLOIFLPLAP-AUCBNHOYSA-N
SMILES： C[C@@H]1CC[C@]2(O)C(=C)C(=O)O[C@]32CC(C)(C)[C@H]2O[C@@]132
Systematic name  (4)：
  • (1aR,2R,7aS,9aR)-3,4,4a,5,9,9a-ヘキサヒドロ-4aβ-ヒドロキシ-2,9,9-トリメチル-5-メチレン-2H,8H-オキシレノ[1,7a]インデノ[3a,4-b]フラン-6-オン
  • (1aR,2R,7aS)-2α,9,9-トリメチル-4aβ-ヒドロキシ-5-メチレン-2,3,4,4a,5,6,9,9aα-オクタヒドロ-8H-オキシレノ[1,7a]インデノ[3a,4-b]フラン-6-オン
  • (1S,5S,8R,9R,11R)-5-ヒドロキシ-8,12,12-トリメチル-4-メチリデン-2,10-ジオキサテトラシクロ[7.4.0.01,5.09,11]トリデカン-3-オン
  • (1S,5S,8R,9R,11R)-5-hydroxy-8,12,12-trimethyl-4-methylidene-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridecan-3-one
Other name (8)：
  • アリアコールA
  • アリアコリドII
  • Alliacol A
  • Alliacolide II
  • (1aR,2R,7aS,9aR)-3,4,4a,5,9,9a-Hexahydro-4aβ-hydroxy-2,9,9-trimethyl-5-methylene-2H,8H-oxireno[1,7a]indeno[3a,4-b]furan-6-one
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CAS registry number： 79232-29-4
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