Chem
J-GLOBAL ID：200907020393759713   Nikkaji number：J366.205E

5-Hydroxy-4,8-dimethyl-10-[9-butyl-3-methyl-8-(4-carboxy-3-methyl-1,3-butadienyl)-9-(4-hydroxy-1,4-dioxobutoxy)-1,7-dioxaspiro[5.5]undecan-2-yl]-2,6,8-decatrienoic acid

5-ヒドロキシ-4,8-ジメチル-10-[9-ブチル-3-メチル-8-(4-カルボキシ-3-メチル-1,3-ブタジエニル)-9-(4-ヒドロキシ-1,4-ジオキソブトキシ)-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-2,6,8-デカトリエン酸
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： C36H52O11
Molecular formula furigana： C36-H52-O11
Molecular weight： 660.801
InChI： InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)
InChI key： ZESGNAJSBDILTB-UHFFFAOYSA-N
SMILES： CCCCC1(CCC2(CCC(C)C(CC=C(C)C=CC(O)C(C)C=CC(=O)O)O2)OC1C=CC(=CC(=O)O)C)OC(=O)CCC(=O)O
Systematic name  (3)：
  • 5-ヒドロキシ-4,8-ジメチル-10-[9-ブチル-3-メチル-8-(4-カルボキシ-3-メチル-1,3-ブタジエニル)-9-(4-ヒドロキシ-1,4-ジオキソブトキシ)-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-2,6,8-デカトリエン酸
  • 10-[9-ブチル-8-(4-カルボキシ-3-メチルブタ-1,3-ジエン-1-イル)-9-[(3-カルボキシプロパノイル)オキシ]-3-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-5-ヒドロキシ-4,8-ジメチルデカ-2,6,8-トリエン酸
  • 10-[9-butyl-8-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-9-[(3-carboxypropanoyl)oxy]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Other name (1)：
  • 5-Hydroxy-4,8-dimethyl-10-[9-butyl-3-methyl-8-(4-carboxy-3-methyl-1,3-butadienyl)-9-(4-hydroxy-1,4-dioxobutoxy)-1,7-dioxaspiro[5.5]undecan-2-yl]-2,6,8-decatrienoic acid
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