Chem
J-GLOBAL ID：200907045153544518   Nikkaji number：J15.736H

Anisatin

アニサチン
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： C15H20O8
Molecular formula furigana： C15-H20-O8
Molecular weight： 328.317
InChI： InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8?,9+,12+,13+,14+,15-/m1/s1
InChI key： GEVWHIDSUOMVRI-QHRGTXDDSA-N
SMILES： C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3
Systematic name  (4)：
  • (1R,6S)-4,5,6a,7,8,9,9a-ヘプタヒドロ-1,5α,6aα,7α-テトラヒドロキシ-5,9β-ジメチルスピロ[6H-4α,9aα-メタノシクロペンタ[d]オキソシン-6,3′-オキセタン]-2,2′(1H)-ジオン
  • (1R,6S)-4,5,6a,7,8,9-ヘキサヒドロ-1,5α,6aα,7α-テトラヒドロキシ-5,9β-ジメチルスピロ[6H-4α,9aα-メタノシクロペンタ[d]オキソシン-6,3′-オキセタン]-2,2′(1H)-ジオン
  • (1'S,2'R,3S,4'R,5'R,7'R,8'R,11'R)-4',5',7',11'-テトラヒドロキシ-2',7'-ジメチル-9'-オキサスピロ[オキセタン-3,6'-トリシクロ[6.3.1.01,5]ドデカン]-4,10'-ジオン
  • (1'S,2'R,3S,4'R,5'R,7'R,8'R,11'R)-4',5',7',11'-tetrahydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.01,5]dodecane]-4,10'-dione
Other name (4)：
  • アニサチン
  • Anisatin
  • (1R,6S)-4,5,6a,7,8,9,9a-Heptahydro-1,5α,6aα,7α-tetrahydroxy-5,9β-dimethylspiro[6H-4α,9aα-methanocyclopenta[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione
  • (1R,6S)-4,5,6a,7,8,9-Hexahydro-1,5α,6aα,7α-tetrahydroxy-5,9β-dimethylspiro[6H-4α,9aα-methanocyclopenta[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione
CAS registry number： 5230-87-5
KEGG COMPOUND： C09294
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