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CAS 144860-69-5

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Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester

Description:
Butanedioic acid, specifically the compound with the complex name provided, is a derivative of butanedioic acid (also known as succinic acid) that features a highly intricate structure with multiple functional groups and stereocenters. This compound is characterized by its ester functionality, which suggests it is formed from the reaction of butanedioic acid with an alcohol. The presence of multiple double bonds and hydroxyl groups indicates potential reactivity and the ability to participate in various chemical reactions, such as esterification or oxidation. The stereochemistry, denoted by the (2S,3R,6S,8R,9S) and other configurations, implies that the molecule has specific three-dimensional orientations that can influence its biological activity and interactions. This compound may exhibit properties typical of both carboxylic acids and esters, such as solubility in polar solvents and potential acidity. Its complex structure suggests potential applications in pharmaceuticals or as a biochemical intermediate, although specific applications would depend on further research into its biological activity and stability.
Formula:C37H54O11
InChI:InChI=1S/C37H54O11/c1-24(2)17-19-36(48-35(45)16-15-33(41)42)21-22-37(47-31(36)13-9-26(4)23-34(43)44)20-18-28(6)30(46-37)12-8-25(3)7-11-29(38)27(5)10-14-32(39)40/h7-11,13-14,23-24,27-31,38H,12,15-22H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/b11-7+,13-9+,14-10+,25-8+,26-23+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
InChI key:InChIKey=NDQHXHWOEDTFCC-UHWSPUDNSA-N
SMILES:O(C(CCC(O)=O)=O)[C@@]1(CCC(C)C)[C@H](/C=C/C(=C/C(O)=O)/C)O[C@@]2(CC1)O[C@H](C/C=C(/C=C/[C@@H]([C@H](/C=C/C(O)=O)C)O)\C)[C@@H](C)CC2
Synonyms:
  • Reveromycin C
  • Butanedioic acid, mono[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadienyl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester
  • 1,7-Dioxaspiro[5.5]undecane, butanedioic acid deriv.
  • Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester
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