Chem
J-GLOBAL ID：200907044943204478   Nikkaji number：J83.574I

Coroglaucigenin 3-rhamnoside

コログラウシゲニン3-ラムノシド
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： C29H44O9
Molecular formula furigana： C29-H44-O9
Molecular weight： 536.662
InChI： InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18-,19+,20-,21+,23-,24+,25+,26?,27+,28+,29-/m0/s1
InChI key： WPVGSIBYLZQSIK-UCOBBHHQSA-N
SMILES： C[C@@H]1OC(O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-[(6-デオキシ-L-マンノピラノシル)オキシ]-14,19-ジヒドロキシ-5α-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a-ヒドロキシ-9a-(ヒドロキシメチル)-11a-メチル-7-{[(3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-3a-hydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • コログラウシゲニン3-ラムノシド
  • Coroglaucigenin 3-rhamnoside
  • 3β-[(6-Deoxy-L-mannopyranosyl)oxy]-14,19-dihydroxy-5α-card-20(22)-enolide
KEGG COMPOUND： C17524
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