Chem
J-GLOBAL ID：200907023668957820   Nikkaji number：J39.991D

Ipolamiide

イポラミイド
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/c1-16(23)3-4-17(24)7(13(22)25-2)6-26-15(12(16)17)28-14-11(21)10(20)9(19)8(5-18)27-14/h6,8-12,14-15,18-21,23-24H,3-5H2,1-2H3/t8-,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1
InChI key： RWMXKBUPLSNIJL-BHBNKKJBSA-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@@](C)(O)CC[C@]12O
Systematic name  (3)：
  • (1S)-1α-(β-D-グルコピラノシルオキシ)-1,4a,5,6,7,7aα-ヘキサヒドロ-4aα,7α-ジヒドロキシ-7-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,4aR,7S,7aR)-4a,7-ジヒドロキシ-7-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,4aR,7S,7aR)-4a,7-dihydroxy-7-methyl-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)：
  • イポラミイド
  • Ipolamiide
  • (1S)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
CAS registry number： 27934-98-1
KEGG COMPOUND： C09784
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