Chem
J-GLOBAL ID：200907029677070674   Nikkaji number：J1.711.531F

2,4,6-Trihydroxy-5-[1-[(1R,3aα)-1,4-dimethyl-7-(1-hydroxy-1-methylethyl)-1,2,3,3a,4,5,6,7-octahydroazulene-1β-yl]-3-methylbutyl]isophthalaldehyde

2,4,6-トリヒドロキシ-5-[1-[(1R,3aα)-1,4-ジメチル-7-(1-ヒドロキシ-1-メチルエチル)-1,2,3,3a,4,5,6,7-オクタヒドロアズレン-1β-イル]-3-メチルブチル]イソフタルアルデヒド
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： C28H40O6
Molecular formula furigana： C28-H40-O6
Molecular weight： 472.622
InChI： InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16?,17?,18-,22?,28-/m0/s1
InChI key： VUKIJLQDSQXHDI-IMTWLJOVSA-N
SMILES： CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@H]2C(C)CCC(C=C12)C(C)(C)O
Systematic name  (3)：
  • 2,4,6-トリヒドロキシ-5-[1-[(1R,3aα)-1,4-ジメチル-7-(1-ヒドロキシ-1-メチルエチル)-1,2,3,3a,4,5,6,7-オクタヒドロアズレン-1β-イル]-3-メチルブチル]イソフタルアルデヒド
  • 5-{1-[(1R,3aS)-7-(2-ヒドロキシプロパン-2-イル)-1,4-ジメチル-1,2,3,3a,4,5,6,7-オクタヒドロアズレン-1-イル]-3-メチルブチル}-2,4,6-トリヒドロキシベンゼン-1,3-ジカルバルデヒド
  • 5-{1-[(1R,3aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-1-yl]-3-methylbutyl}-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Other name (1)：
  • 2,4,6-Trihydroxy-5-[1-[(1R,3aα)-1,4-dimethyl-7-(1-hydroxy-1-methylethyl)-1,2,3,3a,4,5,6,7-octahydroazulene-1β-yl]-3-methylbutyl]isophthalaldehyde
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