Chem
J-GLOBAL ID：200907018612822898   Nikkaji number：J1.282.675C

7-Dehydrologanin tetraacetate

7-デヒドロロガニンテトラアセタート
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： C25H32O14
Molecular formula furigana： C25-H32-O14
Molecular weight： 556.517
InChI： InChI=1S/C25H32O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,18-22,24-25H,7,9H2,1-6H3/t10-,15+,18+,19+,20+,21-,22+,24-,25-/m0/s1
InChI key： WXNZYXJASJZABT-SIDXAJJHSA-N
SMILES： COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@@H]2[C@@H](C)C(=O)C[C@H]12
Systematic name  (4)：
  • (1S)-1α-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシルオキシ)-6-オキソ-7α-メチル-1,4aα,5,6,7,7aα-ヘキサヒドロシクロペンタ[c]ピラン-4-カルボン酸メチル
  • (1S)-1α-(2-O,3-O,4-O,6-O-テトラアセチル-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-7α-メチル-6-オキソシクロペンタ[c]ピラン-4-カルボン酸メチル
  • メチル (1S,4aS,7R,7aS)-7-メチル-6-オキソ-1-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)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,7R,7aS)-7-methyl-6-oxo-1-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (4)：
  • (1S)-1α-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyloxy)-6-oxo-7α-methyl-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
  • (1S)-1α-(2-O,3-O,4-O,6-O-Tetraacetyl-β-D-glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7α-methyl-6-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester
  • 7-Dehydrologanin tetraacetate
  • 7-デヒドロロガニンテトラアセタート
KEGG COMPOUND： C11668
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