Chem
J-GLOBAL ID：200907090815295551   Nikkaji number：J2.299.913C

(10aR)-1-Hydroxy-3-methyl-5β-[[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropanoyl]oxy]-9-oxo-5,8,8aα,10a-tetrahydro-9H-xanthene-10aα-carboxylic acid methyl ester

(10aR)-1-ヒドロキシ-3-メチル-5β-[[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロパノイル]オキシ]-9-オキソ-5,8,8aα,10a-テトラヒドロ-9H-キサンテン-10aα-カルボン酸メチル
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： C26H23F3O8
Molecular formula furigana： C26-H23-F3-O8
Molecular weight： 520.457
InChI： InChI=1S/C26H23F3O8/c1-14-12-17(30)20-18(13-14)37-24(22(32)34-2)16(21(20)31)10-7-11-19(24)36-23(33)25(35-3,26(27,28)29)15-8-5-4-6-9-15/h4-9,11-13,16,19,30H,10H2,1-3H3/t16-,19-,24+,25+/m0/s1
InChI key： ZCODFBJPNKKDEP-BDBYQYBLSA-N
SMILES： COC(=O)[C@@]12Oc3cc(C)cc(O)c3C(=O)[C@@H]1CC=C[C@@H]2OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F
Systematic name  (3)：
  • (10aR)-1-ヒドロキシ-3-メチル-5β-[[(R)-2-メトキシ-2-フェニル-3,3,3-トリフルオロプロパノイル]オキシ]-9-オキソ-5,8,8aα,10a-テトラヒドロ-9H-キサンテン-10aα-カルボン酸メチル
  • メチル (4S,4aR,9aR)-8-ヒドロキシ-6-メチル-9-オキソ-4-{[(2R)-3,3,3-トリフルオロ-2-メトキシ-2-フェニルプロパノイル]オキシ}-4,4a,9,9a-テトラヒドロ-1H-キサンテン-4a-カルボキシラート
  • methyl (4S,4aR,9aR)-8-hydroxy-6-methyl-9-oxo-4-{[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy}-4,4a,9,9a-tetrahydro-1H-xanthene-4a-carboxylate
Other name (1)：
  • (10aR)-1-Hydroxy-3-methyl-5β-[[(R)-2-methoxy-2-phenyl-3,3,3-trifluoropropanoyl]oxy]-9-oxo-5,8,8aα,10a-tetrahydro-9H-xanthene-10aα-carboxylic acid methyl ester
Thsaurus map：
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