Chem
J-GLOBAL ID：200907015630149140   Nikkaji number：J1.741.226D

(3aβ,4R,9aβ,9bα)-2-Oxo-3,9-dimethylene-5aα-methyldodecahydronaphtho[1,2-b]furan-4α,6α,8α-triol 4-isobutyrate 8-acetate

(3aβ,4R,9aβ,9bα)-2-オキソ-3,9-ジメチレン-5aα-メチルドデカヒドロナフト[1,2-b]フラン-4α,6α,8α-トリオール4-イソブチラート8-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： C21H28O7
Molecular formula furigana： C21-H28-O7
Molecular weight： 392.448
InChI： InChI=1S/C21H28O7/c1-9(2)19(24)27-14-8-21(6)15(23)7-13(26-12(5)22)10(3)17(21)18-16(14)11(4)20(25)28-18/h9,13-18,23H,3-4,7-8H2,1-2,5-6H3/t13-,14+,15+,16+,17+,18-,21-/m0/s1
InChI key： ZUUNDLVXTQYYJK-FBGIEJIUSA-N
SMILES： CC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](O)C[C@H](OC(=O)C)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (3)：
  • (3aβ,4R,9aβ,9bα)-2-オキソ-3,9-ジメチレン-5aα-メチルドデカヒドロナフト[1,2-b]フラン-4α,6α,8α-トリオール4-イソブチラート8-アセタート
  • (3aR,4R,5aR,6R,8S,9aS,9bR)-8-(アセチルオキシ)-6-ヒドロキシ-5a-メチル-3,9-ジメチリデン-2-オキソ-ドデカヒドロナフト[1,2-b]フラン-4-イル 2-メチルプロパノアート
  • (3aR,4R,5aR,6R,8S,9aS,9bR)-8-(acetyloxy)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl 2-methylpropanoate
Other name (1)：
  • (3aβ,4R,9aβ,9bα)-2-Oxo-3,9-dimethylene-5aα-methyldodecahydronaphtho[1,2-b]furan-4α,6α,8α-triol 4-isobutyrate 8-acetate
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