Chem
J-GLOBAL ID:200907025291571444   Nikkaji number:J2.619.572A

(3R,4R,5S,5aS,6S,9R,9aS,10R)-4,10-Diacetoxy-5-(benzyloxy)-6-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2,2,5aβ,9β-tetramethyl-2H-3,9a-methano-1-benzooxepin

(1S,2R,5S,6S,7S,8R,9R,12R)-8-(アセチルオキシ)-7-(ベンジルオキシ)-5-ヒドロキシ-2,6,10,10-テトラメチル-11-オキサトリシクロ[7.2.1.01,6]ドデカン-12-イル 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: C26H36O7
Molecular formula furigana: C26-H36-O7
Molecular weight: 460.567
InChI: InChI=1S/C26H36O7/c1-15-12-13-19(29)25(6)23(30-14-18-10-8-7-9-11-18)21(31-16(2)27)20-22(32-17(3)28)26(15,25)33-24(20,4)5/h7-11,15,19-23,29H,12-14H2,1-6H3/t15-,19+,20-,21-,22-,23-,25+,26-/m1/s1
InChI key: KTRXUJASBVQBND-WOAMJUGDSA-N
SMILES: C[C@@H]1CC[C@H](O)[C@@]2(C)[C@H](OCc3ccccc3)[C@H](OC(=O)C)[C@@H]3[C@@H](OC(=O)C)[C@]12OC3(C)C
Systematic name  (3):
  • (3R,4R,5S,5aS,6S,9R,9aS,10R)-4,10-ジアセトキシ-5-(ベンジルオキシ)-6-ヒドロキシ-3,4,5,5a,6,7,8,9-オクタヒドロ-2,2,5aβ,9β-テトラメチル-2H-3,9a-メタノ-1-ベンゾオキセピン
  • (1S,2R,5S,6S,7S,8R,9R,12R)-8-(アセチルオキシ)-7-(ベンジルオキシ)-5-ヒドロキシ-2,6,10,10-テトラメチル-11-オキサトリシクロ[7.2.1.01,6]ドデカン-12-イル アセタート
  • (1S,2R,5S,6S,7S,8R,9R,12R)-8-(acetyloxy)-7-(benzyloxy)-5-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl acetate
Other name (1):
  • (3R,4R,5S,5aS,6S,9R,9aS,10R)-4,10-Diacetoxy-5-(benzyloxy)-6-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2,2,5aβ,9β-tetramethyl-2H-3,9a-methano-1-benzooxepin
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