Chem
J-GLOBAL ID：200907084052586509   Nikkaji number：J819.591I

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

15β-(3-フルオロベンゾイルオキシ)-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： C28H29FO11
Molecular formula furigana： C28-H29-F-O11
Molecular weight： 560.527
InChI： InChI=1S/C28H29FO11/c1-11-7-15(30)21(32)26(2)14(11)9-16-27-10-38-28(25(36)37-3,22(33)17(31)19(26)27)20(27)18(24(35)39-16)40-23(34)12-5-4-6-13(29)8-12/h4-8,14,16-22,31-33H,9-10H2,1-3H3/t14-,16+,17+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1
InChI key： FHHMFWFBEZVFDW-NVBRUEICSA-N
SMILES： COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)c1cccc(F)c1)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-フルオロベンゾイルオキシ)-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)-3-(3-フルオロベンゾイルオキシ)-12,15,16-トリヒドロキシ-9,13-ジメチル-4,11-ジオキソ-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)-3-(3-fluorobenzoyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
Other name (1)：
  • 15β-(3-Fluorobenzoyloxy)-13,20-epoxy-1β,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
Thsaurus map：
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