Chem
J-GLOBAL ID：200907084280305820   Nikkaji number：J1.467.455A

1-O,2-O-[(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-ylidene]-D-chiro-inositol 3,4,6-triacetate

1-O,2-O-[(1R,4R)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イリデン]-D-chiro-イノシトール3,4,6-トリアセタート
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： C22H32O9
Molecular formula furigana： C22-H32-O9
Molecular weight： 440.489
InChI： InChI=1S/C22H32O9/c1-10(23)27-15-14(26)16(28-11(2)24)18-19(17(15)29-12(3)25)31-22(30-18)9-13-7-8-21(22,6)20(13,4)5/h13-19,26H,7-9H2,1-6H3/t13-,14-,15-,16-,17+,18+,19-,21-,22?/m1/s1
InChI key： RBISQCSNRFFPLN-OXVNSKJBSA-N
SMILES： CC(=O)O[C@H]1[C@@H]2OC3(C[C@H]4CC[C@]3(C)C4(C)C)O[C@@H]2[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1O
Systematic name  (3)：
  • 1-O,2-O-[(1R,4R)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イリデン]-D-chiro-イノシトール3,4,6-トリアセタート
  • (1'R,3aR,4R,4'R,5S,6R,7R,7aS)-4,6-ビス(アセチルオキシ)-5-ヒドロキシ-1',7',7'-トリメチル-ヘキサヒドロスピロ[1,3-ベンゾジオキソール-2,2'-ビシクロ[2.2.1]ヘプタン]-7-イル アセタート
  • (1'R,3aR,4R,4'R,5S,6R,7R,7aS)-4,6-bis(acetyloxy)-5-hydroxy-1',7',7'-trimethyl-hexahydrospiro[1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptan]-7-yl acetate
Other name (1)：
  • 1-O,2-O-[(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-ylidene]-D-chiro-inositol 3,4,6-triacetate
Thsaurus map：
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