Chem
J-GLOBAL ID：200907053671064875   Nikkaji number：J819.589G

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

15β-(3-メチル-2-ブテノイルオキシ)-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： C26H32O11
Molecular formula furigana： C26-H32-O11
Molecular weight： 520.530
InChI： InChI=1S/C26H32O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h6-7,12,14,16-21,29-31H,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
InChI key： DNWFJHUEOKYIAM-FTSLJJEMSA-N
SMILES： COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)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-2-ブテノイルオキシ)-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)-12,15,16-トリヒドロキシ-9,13-ジメチル-3-[(3-メチルブタ-2-エノイル)オキシ]-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)-12,15,16-trihydroxy-9,13-dimethyl-3-[(3-methylbut-2-enoyl)oxy]-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-Methyl-2-butenoyloxy)-13,20-epoxy-1β,11β,12α-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM