Chem
J-GLOBAL ID：200907019882577000   Nikkaji number：J1.563.537A

Succinic acid 1-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-3-methyl-4-carboxy-1,3-butadienyl]-3-butyl-8-(2-hydroxyethyl)-9-methyl-1,7-dioxaspiro[5.5]undecane-3-yl] ester

こはく酸1-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-3-メチル-4-カルボキシ-1,3-ブタジエニル]-3-ブチル-8-(2-ヒドロキシエチル)-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-3-イル]
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： C26H40O9
Molecular formula furigana： C26-H40-O9
Molecular weight： 496.597
InChI： InChI=1S/C26H40O9/c1-4-5-12-25(35-24(32)9-8-22(28)29)14-15-26(13-10-19(3)20(33-26)11-16-27)34-21(25)7-6-18(2)17-23(30)31/h6-7,17,19-21,27H,4-5,8-16H2,1-3H3,(H,28,29)(H,30,31)/b7-6+,18-17+/t19-,20+,21-,25+,26-/m0/s1
InChI key： HZICJCRVNRYQAH-RBMWKZKYSA-N
SMILES： CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](CCO)O2)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O
Systematic name  (3)：
  • こはく酸1-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-3-メチル-4-カルボキシ-1,3-ブタジエニル]-3-ブチル-8-(2-ヒドロキシエチル)-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-3-イル]
  • (2E,4E)-5-[(2S,3R,6S,8R,9S)-3-ブチル-3-[(3-カルボキシプロパノイル)オキシ]-8-(2-ヒドロキシエチル)-9-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-3-メチルペンタ-2,4-ジエン酸
  • (2E,4E)-5-[(2S,3R,6S,8R,9S)-3-butyl-3-[(3-carboxypropanoyl)oxy]-8-(2-hydroxyethyl)-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methylpenta-2,4-dienoic acid
Other name (1)：
  • Succinic acid 1-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-3-methyl-4-carboxy-1,3-butadienyl]-3-butyl-8-(2-hydroxyethyl)-9-methyl-1,7-dioxaspiro[5.5]undecane-3-yl] ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM