Chem
J-GLOBAL ID：200907006548330287   Nikkaji number：J38.755J

Angolensic acid methyl

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： C27H34O7
Molecular formula furigana： C27-H34-O7
Molecular weight： 470.562
InChI： InChI=1S/C27H34O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-18,20,23H,1,7,9,11-13H2,2-6H3/t17-,18-,20-,23-,25-,26+,27-/m0/s1
InChI key： YNMYHRYTRCKSMI-SQHTYAHXSA-N
SMILES： COC(=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  (5)：
  • (17S)-3,16-ジオキソ-1α,14:16,17-ジエポキシ-7,8:16,17-ジセコメリアカ-8(26)-エン-7-酸メチル
  • (13α,17aα)-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,14β,17aα)-1α,14:21,23-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-[(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-[(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 (7)：
  • アンゴレンス酸メチル
  • Angolensic acid methyl
  • Methyl angolensate
  • (13α,17aα)-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,14β,17aα)-1α,14:21,23-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
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CAS registry number： 2629-14-3
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