Chem
J-GLOBAL ID：200907022907570561   Nikkaji number：J819.590K

15β-(3-Methyl-4,4,4-trifluorobutyryloxy)-13,20-epoxy-1β,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester

15β-(3-メチル-4,4,4-トリフルオロブチリルオキシ)-13,20-エポキシ-1β,11β,12α-トリヒドロキシ-2,16-ジオキソピクラサ-3-エン-21-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： C26H31F3O11
Molecular formula furigana： C26-H31-F3-O11
Molecular weight： 576.518
InChI： InChI=1S/C26H31F3O11/c1-9-5-12(30)19(33)23(3)11(9)7-13-24-8-38-25(22(36)37-4,20(34)15(32)17(23)24)18(24)16(21(35)39-13)40-14(31)6-10(2)26(27,28)29/h5,10-11,13,15-20,32-34H,6-8H2,1-4H3/t10?,11-,13+,15+,16+,17+,18+,19+,20-,23-,24+,25-/m0/s1
InChI key： DHIWXBKLLFNVJF-PJLKEXLVSA-N
SMILES： COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)CC(C)C(F)(F)F)C(=O)O[C@@H]3C[C@H]1C(=CC(=O)[C@@H](O)[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O)C
Systematic name  (3)：
  • 15β-(3-メチル-4,4,4-トリフルオロブチリルオキシ)-13,20-エポキシ-1β,11β,12α-トリヒドロキシ-2,16-ジオキソピクラサ-3-エン-21-酸メチル
  • メチル (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-トリヒドロキシ-9,13-ジメチル-4,11-ジオキソ-3-[(4,4,4-トリフルオロ-3-メチルブタノイル)オキシ]-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-17-カルボキシラート
  • methyl (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(4,4,4-trifluoro-3-methylbutanoyl)oxy]-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Other name (1)：
  • 15β-(3-Methyl-4,4,4-trifluorobutyryloxy)-13,20-epoxy-1β,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
Thsaurus map：
Thesaurus Map

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