Chem
J-GLOBAL ID：200907099733724354   Nikkaji number：J1.741.223J

(3aS,4R,6S,8R,9R,10S,11aR)-Dodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4,8,9-triol 4-isobutyrate 8-[(2R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionate]

(3aS,4R,6S,8R,9R,10S,11aR)-ドデカヒドロ-6,10-ジメチル-3-メチレン-2-オキソ-6,9-エポキシシクロデカ[b]フラン-4,8,9-トリオール4-イソブチラート8-[(2R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオナート]
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： C29H35F3O9
Molecular formula furigana： C29-H35-F3-O9
Molecular weight： 584.585
InChI： InChI=1S/C29H35F3O9/c1-15(2)23(33)39-20-13-26(5)14-21(28(36,41-26)16(3)12-19-22(20)17(4)24(34)38-19)40-25(35)27(37-6,29(30,31)32)18-10-8-7-9-11-18/h7-11,15-16,19-22,36H,4,12-14H2,1-3,5-6H3/t16-,19+,20+,21+,22-,26-,27+,28+/m0/s1
InChI key： BHVJCNYEIZJQSR-NQZKXVDESA-N
SMILES： CO[C@@](C(=O)O[C@@H]1C[C@]2(C)C[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](C[C@H](C)[C@@]1(O)O2)OC(=O)C3=C)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (3aS,4R,6S,8R,9R,10S,11aR)-ドデカヒドロ-6,10-ジメチル-3-メチレン-2-オキソ-6,9-エポキシシクロデカ[b]フラン-4,8,9-トリオール4-イソブチラート8-[(2R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロピオナート]
  • (1R,2S,4R,8S,9R,11S,13R)-1-ヒドロキシ-2,11-ジメチル-7-メチリデン-9-[(2-メチルプロパノイル)オキシ]-6-オキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカン-13-イル (2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノアート
  • (1R,2S,4R,8S,9R,11S,13R)-1-hydroxy-2,11-dimethyl-7-methylidene-9-[(2-methylpropanoyl)oxy]-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-13-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Other name (1)：
  • (3aS,4R,6S,8R,9R,10S,11aR)-Dodecahydro-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4,8,9-triol 4-isobutyrate 8-[(2R)-2-methoxy-2-phenyl-3,3,3-trifluoropropionate]
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