Chem
J-GLOBAL ID：200907010196456916   Nikkaji number：J126.762K

Methyl acetoxyangolensate

アセトキシアンゴレンス酸メチル
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： C29H36O9
Molecular formula furigana： C29-H36-O9
Molecular weight： 528.598
InChI： InChI=1S/C29H36O9/c1-15-18-8-10-27(5)24(17-9-11-35-14-17)37-21(32)13-29(15,27)38-20-12-19(31)26(3,4)23(28(18,20)6)22(25(33)34-7)36-16(2)30/h9,11,14,18,20,22-24H,1,8,10,12-13H2,2-7H3/t18-,20-,22?,23-,24-,27-,28-,29-/m0/s1
InChI key： QSQFOIMEVMOMIJ-XTJNNKIQSA-N
SMILES： COC(=O)C(OC(=O)C)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C
Systematic name  (4)：
  • (13α,17aα)-6-アセチルオキシ-1α,14β:21,23-ジエポキシ-4,4-ジメチル-3,16-ジオキソ-D-ホモ-24-ノル-17-オキサ-6,7-セコ-5α-コラ-7,20,22-トリエン-6-カルボン酸メチル
  • (13α,17aα)-6-アセトキシ-1α,14β:21,23-ジエポキシ-4,4-ジメチル-3,16-ジオキソ-D-ホモ-24-ノル-17-オキサ-6,7-セコ-5α-コラ-7,20,22-トリエン-6-カルボン酸メチル
  • メチル 2-(アセチルオキシ)-2-[(1S,3S,7R,8R,9R,12S,13S)-13-(フラン-3-イル)-6,6,8,12-テトラメチル-17-メチリデン-5,15-ジオキソ-2,14-ジオキサテトラシクロ[7.7.1.01,12.03,8]ヘプタデカン-7-イル]アセタート
  • methyl 2-(acetyloxy)-2-[(1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
Other name (8)：
  • 6-アセチルオキシアンゴレンス酸メチル
  • Methyl 6-acetyloxyangolensate
  • (13α,17aα)-6-Acetyloxy-1α,14β:21,23-diepoxy-4,4-dimethyl-3,16-dioxo-D-homo-24-nor-17-oxa-6,7-seco-5α-chola-7,20,22-triene-6-carboxylic acid methyl ester
  • (13α,17aα)-6-Acetoxy-1α,14β:21,23-diepoxy-4,4-dimethyl-3,16-dioxo-D-homo-24-nor-17-oxa-6,7-seco-5α-chola-7,20,22-triene-6-carboxylic acid methyl ester
  • 6-アセトキシアンゴレンス酸メチル
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