Chem
J-GLOBAL ID：200907053144020860   Nikkaji number：J37.082G

Alliacol B

アリアコール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： C15H20O4
Molecular formula furigana： C15-H20-O4
Molecular weight： 264.321
InChI： InChI=1S/C15H20O4/c1-8-4-5-10-9(6-16)11(17)18-14(10)7-13(2,3)12-15(8,14)19-12/h8,12,16H,4-7H2,1-3H3/t8-,12-,14+,15-/m1/s1
InChI key： IAPZIXBAFXUFEO-KXWVSSKRSA-N
SMILES： C[C@@H]1CCC2=C(CO)C(=O)O[C@]32CC(C)(C)[C@H]2O[C@@]132
Systematic name  (4)：
  • (1aR,2R,7aS,9aR)-3,4,9,9a-テトラヒドロ-5-ヒドロキシメチル-2,9,9-トリメチル-8H-オキシレノ[1,7a]インデノ[3a,4-b]フラン-6(2H)-オン
  • (1aR,2R,7aS)-2α,9,9-トリメチル-5-(ヒドロキシメチル)-3,4,9,9aα-テトラヒドロ-8H-オキシレノ[1,7a]インデノ[3a,4-b]フラン-6(2H)-オン
  • (1S,8R,9R,11R)-4-(ヒドロキシメチル)-8,12,12-トリメチル-2,10-ジオキサテトラシクロ[7.4.0.01,5.09,11]トリデカ-4-エン-3-オン
  • (1S,8R,9R,11R)-4-(hydroxymethyl)-8,12,12-trimethyl-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridec-4-en-3-one
Other name (6)：
  • アリアコールB
  • Alliacol B
  • (1aR,2R,7aS,9aR)-3,4,9,9a-Tetrahydro-5-hydroxymethyl-2,9,9-trimethyl-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one
  • (1aR,2R,7aS)-2α,9,9-Trimethyl-5-(hydroxymethyl)-3,4,9,9aα-tetrahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one
  • 12-ヒドロキシデヒドロアリアコリド
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CAS registry number： 79232-33-0
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