Chem
J-GLOBAL ID：200907030785655601   Nikkaji number：J1.280.739B

(5R)-4,5,6,7,8,8aα-Hexahydro-3,8β-dimethyl-5β-hydroxy-5-(1-hydroxy-1-methylethyl)-6β-(β-D-glucopyranosyloxy)azulene-2(1H)-one

(5R)-4,5,6,7,8,8aα-ヘキサヒドロ-3,8β-ジメチル-5β-ヒドロキシ-5-(1-ヒドロキシ-1-メチルエチル)-6β-(β-D-グルコピラノシルオキシ)アズレン-2(1H)-オン
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： C21H34O9
Molecular formula furigana： C21-H34-O9
Molecular weight： 430.494
InChI： InChI=1S/C21H34O9/c1-9-5-15(30-19-18(26)17(25)16(24)14(8-22)29-19)21(28,20(3,4)27)7-12-10(2)13(23)6-11(9)12/h9,11,14-19,22,24-28H,5-8H2,1-4H3/t9-,11-,14-,15+,16-,17+,18-,19+,21-/m1/s1
InChI key： HVAVGMDRUJHUOH-SJODFBGCSA-N
SMILES： C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@](O)(CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
Systematic name  (4)：
  • (5R)-4,5,6,7,8,8aα-ヘキサヒドロ-3,8β-ジメチル-5β-ヒドロキシ-5-(1-ヒドロキシ-1-メチルエチル)-6β-(β-D-グルコピラノシルオキシ)アズレン-2(1H)-オン
  • (3aR)-1,4α-ジメチル-6α-(β-D-グルコピラノシルオキシ)-7β-(1-メチル-1-ヒドロキシエチル)-7-ヒドロキシ-2,3,3aβ,4,5,6,7,8-オクタヒドロアズレン-2-オン
  • (5R,6S,8R,8aR)-5-ヒドロキシ-5-(2-ヒドロキシプロパン-2-イル)-3,8-ジメチル-6-{[(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}-1,2,4,5,6,7,8,8a-オクタヒドロアズレン-2-オン
  • (5R,6S,8R,8aR)-5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,4,5,6,7,8,8a-octahydroazulen-2-one
Other name (2)：
  • (5R)-4,5,6,7,8,8aα-Hexahydro-3,8β-dimethyl-5β-hydroxy-5-(1-hydroxy-1-methylethyl)-6β-(β-D-glucopyranosyloxy)azulene-2(1H)-one
  • (3aR)-1,4α-Dimethyl-6α-(β-D-glucopyranosyloxy)-7β-(1-methyl-1-hydroxyethyl)-7-hydroxy-2,3,3aβ,4,5,6,7,8-octahydroazulene-2-one
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