Chem
J-GLOBAL ID：200907034119142778   Nikkaji number：J607.208I

Hamaudol 3-glucoside

ハマウドール3-グルコシド
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： C21H26O10
Molecular formula furigana： C21-H26-O10
Molecular weight： 438.429
InChI： InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14+,17-,18+,19-,20+/m1/s1
InChI key： QVUPQEXKTXSMKX-JJDILSOYSA-N
SMILES： Cc1cc(=O)c2c(O)c3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)Oc3cc2o1
Systematic name  (5)：
  • (S)-3,4-ジヒドロ-5-ヒドロキシ-3β-(β-D-グルコピラノシルオキシ)-2,2,8-トリメチル-2H,6H-ベンゾ[1,2-b:5,4-b′]ジピラン-6-オン
  • (7S)-2,8,8-トリメチル-5-ヒドロキシ-7α-(β-D-グルコピラノシルオキシ)-7,8-ジヒドロ-4H,6H-ベンゾ[1,2-b:5,4-b′]ジピラン-4-オン
  • (S)-2,8,8-トリメチル-5-ヒドロキシ-7α-(β-D-グルコピラノシルオキシ)-7,8-ジヒドロ-4H,6H-ベンゾ[1,2-b:5,4-b′]ジピラン-4-オン
  • (7S)-5-ヒドロキシ-2,8,8-トリメチル-7-{[(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}-4H,6H,7H,8H-ピラノ[3,2-g]クロメン-4-オン
  • (7S)-5-hydroxy-2,8,8-trimethyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-one
Other name (8)：
  • ハマウドール3-グルコシド
  • Hamaudol 3-glucoside
  • (S)-3,4-Dihydro-5-hydroxy-3β-(β-D-glucopyranosyloxy)-2,2,8-trimethyl-2H,6H-benzo[1,2-b:5,4-b′]dipyran-6-one
  • (7S)-2,8,8-Trimethyl-5-hydroxy-7α-(β-D-glucopyranosyloxy)-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b′]dipyran-4-one
  • (S)-2,8,8-Trimethyl-5-hydroxy-7α-(β-D-glucopyranosyloxy)-7,8-dihydro-4H,6H-benzo[1,2-b:5,4-b′]dipyran-4-one
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KEGG COMPOUND： C17484
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