Chem
J-GLOBAL ID：200907063722500999   Nikkaji number：J2.497.137F

Effusenone A

エフセノン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： C23H36O5
Molecular formula furigana： C23-H36-O5
Molecular weight： 392.536
InChI： InChI=1S/C23H36O5/c1-20(2)27-12-18(28-20)21(3)8-9-22(4)14(11-21)6-7-15-16(22)10-17(25)19(26)23(15,5)13-24/h10,14-15,18-19,24,26H,6-9,11-13H2,1-5H3/t14-,15-,18?,19+,21-,22-,23-/m0/s1
InChI key： FIPDXESYBKHAOQ-OILQAGCDSA-N
SMILES： CC1(C)OCC(O1)[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@H]3C2=CC(=O)[C@@H](O)[C@@]3(C)CO)C1
Systematic name  (3)：
  • (1R,2S,4bS,7S,8aS,10aS)-7-(2,2-ジメチル-1,3-ジオキソラン-4-イル)-1,4b,5,6,7,8,8a,9,10,10a-デカヒドロ-2-ヒドロキシ-1-(ヒドロキシメチル)-1,4b,7-トリメチルフェナントレン-3(2H)-オン
  • (1R,2S,4bS,7S,8aS,10aS)-7-(2,2-ジメチル-1,3-ジオキソラン-4-イル)-2-ヒドロキシ-1-(ヒドロキシメチル)-1,4b,7-トリメチル-1,2,3,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-3-オン
  • (1R,2S,4bS,7S,8aS,10aS)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxy-1-(hydroxymethyl)-1,4b,7-trimethyl-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-3-one
Other name (3)：
  • (1R,2S,4bS,7S,8aS,10aS)-7-(2,2-Dimethyl-1,3-dioxolane-4-yl)-1,4b,5,6,7,8,8a,9,10,10a-decahydro-2-hydroxy-1-(hydroxymethyl)-1,4b,7-trimethylphenanthrene-3(2H)-one
  • Effusenone A
  • エフセノンA
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