Chem
J-GLOBAL ID：200907093363269131   Nikkaji number：J1.563.528B

Succinic acid 1-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-3-methyl-4-carboxy-1,3-butadienyl]-3-butyl-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-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-[(E)-3-メチル-4-ヒドロキシ-2-ブテニル]-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： C29H44O9
Molecular formula furigana： C29-H44-O9
Molecular weight： 536.662
InChI： InChI=1S/C29H44O9/c1-5-6-14-28(38-27(35)12-11-25(31)32)16-17-29(37-24(28)10-8-20(2)18-26(33)34)15-13-22(4)23(36-29)9-7-21(3)19-30/h7-8,10,18,22-24,30H,5-6,9,11-17,19H2,1-4H3,(H,31,32)(H,33,34)/b10-8+,20-18+,21-7+/t22-,23+,24-,28+,29-/m0/s1
InChI key： SGULMEZCACRDBT-YKGRXZFWSA-N
SMILES： CCCC[C@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/CO)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-[(E)-3-メチル-4-ヒドロキシ-2-ブテニル]-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-[(2E)-4-ヒドロキシ-3-メチルブタ-2-エン-1-イル]-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-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-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-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-methyl-1,7-dioxaspiro[5.5]undecane-3-yl] ester
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