Chem
J-GLOBAL ID：200907027030214248   Nikkaji number：J15.270F

Neoanisatin

ネオアニサチン
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： C15H20O7
Molecular formula furigana： C15-H20-O7
Molecular weight： 312.318
InChI： InChI=1S/C15H20O7/c1-7-3-4-15(20)13(7)5-8(22-10(17)9(13)16)12(2,19)14(15)6-21-11(14)18/h7-9,16,19-20H,3-6H2,1-2H3/t7-,8?,9+,12+,13+,14+,15-/m1/s1
InChI key： OHFIOPJOZFMKFF-XMIICWEVSA-N
SMILES： C[C@@H]1CC[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3
Systematic name  (3)：
  • (1R,4R,5R,6R,6aR,9R,9aS)-4,5,6a,7,8,9-ヘキサヒドロ-1,5,6a-トリヒドロキシ-5,9-ジメチルスピロ[6H-4,9a-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,3R,5'R,7'R,8'R,11'R)-5',7',11'-トリヒドロキシ-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,3R,5'R,7'R,8'R,11'R)-5',7',11'-trihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.01,5]dodecane]-4,10'-dione
Other name (3)：
  • ネオアニサチン
  • Neoanisatin
  • (1R,4R,5R,6R,6aR,9R,9aS)-4,5,6a,7,8,9-Hexahydro-1,5,6a-trihydroxy-5,9-dimethylspiro[6H-4,9a-methanocyclopenta[d]oxocin-6,3′-oxetane]-2,2′(1H)-dione
CAS registry number： 15589-82-9
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