Chem
J-GLOBAL ID：200907054105765935   Nikkaji number：J819.588I

13,20-Epoxy-1β,11β,12α,15β-tetrahydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester

13,20-エポキシ-1β,11β,12α,15β-テトラヒドロキシ-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： C21H26O10
Molecular formula furigana： C21-H26-O10
Molecular weight： 438.429
InChI： InChI=1S/C21H26O10/c1-7-4-9(22)15(25)19(2)8(7)5-10-20-6-30-21(18(28)29-3,16(26)11(23)13(19)20)14(20)12(24)17(27)31-10/h4,8,10-16,23-26H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14+,15+,16-,19-,20+,21-/m0/s1
InChI key： QDRFTPSFNQXFRL-KGKOGODQSA-N
SMILES： COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)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)：
  • 13,20-エポキシ-1β,11β,12α,15β-テトラヒドロキシ-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)-3,12,15,16-テトラヒドロキシ-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)-3,12,15,16-tetrahydroxy-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)：
  • 13,20-Epoxy-1β,11β,12α,15β-tetrahydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
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