Chem
J-GLOBAL ID：201107096866647610   Nikkaji number：J2.953.487J

Preleosibirone A

プレレオシビロン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/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15,17-18,25H,6-9,12H2,1-5H3/t13-,15-,17-,18+,20+,21+,22-/m1/s1
InChI key： PHNDFJBMMYOJPB-FYUPEHAASA-N
SMILES： C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)[C@@H](CC[C@]2(C)[C@]21CC[C@]1(COC=C1)O2)OC(=O)C
Systematic name  (3)：
  • (1R,2S,4aα,5′S)-2α,5,5,8aβ-テトラメチル-4β-ヒドロキシ-6α-アセトキシジスピロ[デカリン-1,2′-オキソラン-5′,3′′(2′′H)-フラン]-3-オン
  • (2''S,3S,4''S,4''aS,5'R,6''R,8''aS)-4''-ヒドロキシ-2'',5'',5'',8''a-テトラメチル-3''-オキソ-3'',4'',4''a,5'',6'',7'',8'',8''a-オクタヒドロ-2H,2''H-ジスピロ[フラン-3,2'-オキソラン-5',1''-ナフタレン]-6''-イル アセタート
  • (2''S,3S,4''S,4''aS,5'R,6''R,8''aS)-4''-hydroxy-2'',5'',5'',8''a-tetramethyl-3''-oxo-3'',4'',4''a,5'',6'',7'',8'',8''a-octahydro-2H,2''H-dispiro[furan-3,2'-oxolane-5',1''-naphthalen]-6''-yl acetate
Other name (3)：
  • (1R,2S,4aα,5′S)-2α,5,5,8aβ-Tetramethyl-4β-hydroxy-6α-acetoxydispiro[decalin-1,2′-oxolane-5′,3′′(2′′H)-furan]-3-one
  • プレレオシビロンA
  • Preleosibirone A
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