Chem
J-GLOBAL ID：201107044499954161   Nikkaji number：J2.953.490J

Leosibirone A

レオシビロン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： C22H32O6
Molecular formula furigana： C22-H32-O6
Molecular weight： 392.492
InChI： InChI=1S/C22H32O6/c1-13-17(24)18(25)19-20(3,4)16(28-14(2)23)7-9-21(19,5)22(13,26)10-6-15-8-11-27-12-15/h8,11-13,16,18-19,25-26H,6-7,9-10H2,1-5H3/t13-,16-,18-,19+,21+,22-/m1/s1
InChI key： RWOAGXCXGZWXLF-VCOBGZKZSA-N
SMILES： C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)[C@@H](CC[C@]2(C)[C@@]1(O)CCc1ccoc1)OC(=O)C
Systematic name  (3)：
  • (1R,4aα)-1β-[2-(3-フリル)エチル]-1,4β-ジヒドロキシ-2α,5,5,8aβ-テトラメチル-6α-アセトキシデカリン-3-オン
  • (2R,4aS,5R,6S,8S,8aS)-5-[2-(フラン-3-イル)エチル]-5,8-ジヒドロキシ-1,1,4a,6-テトラメチル-7-オキソ-デカヒドロナフタレン-2-イル アセタート
  • (2R,4aS,5R,6S,8S,8aS)-5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,1,4a,6-tetramethyl-7-oxo-decahydronaphthalen-2-yl acetate
Other name (3)：
  • (1R,4aα)-1β-[2-(3-Furyl)ethyl]-1,4β-dihydroxy-2α,5,5,8aβ-tetramethyl-6α-acetoxydecalin-3-one
  • レオシビロンA
  • Leosibirone A
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