Chem
J-GLOBAL ID：200907065954910401   Nikkaji number：J688.902F

Morofficinaloside

モロフィシナロシド
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： C17H26O11
Molecular formula furigana： C17-H26-O11
Molecular weight： 406.384
InChI： InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3/t6-,7-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1
InChI key： GTEDLLYKAJRTNK-KQCYYMTHSA-N
SMILES： COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](CO)[C@H](O)C[C@H]12
Systematic name  (3)：
  • (1S)-1-(β-D-グルコピラノシルオキシ)-1,4aα,5,6,7,7aα-ヘキサヒドロ-6β-ヒドロキシ-7β-(ヒドロキシメチル)シクロペンタ[c]ピラン-4-カルボン酸メチル
  • メチル (1S,4aS,6R,7R,7aS)-6-ヒドロキシ-7-(ヒドロキシメチル)-1-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
  • methyl (1S,4aS,6R,7R,7aS)-6-hydroxy-7-(hydroxymethyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (3)：
  • モロフィシナロシド
  • Morofficinaloside
  • (1S)-1-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-6β-hydroxy-7β-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid methyl ester
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