CAS 122616-88-0

2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-

Description:

The chemical substance known as 2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-, with the CAS number 122616-88-0, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including an ester and various cyclic structures, which contribute to its potential reactivity and biological activity. The presence of stereocenters indicates that the compound exhibits chirality, which may influence its interactions in biological systems. This compound is likely to be soluble in organic solvents due to its hydrophobic regions, while the presence of polar functional groups may impart some degree of hydrophilicity. Its specific applications and properties would depend on its structural characteristics, making it of interest in fields such as medicinal chemistry and organic synthesis. Further studies would be necessary to elucidate its full range of properties and potential uses.

Formula: C₃₄H₄₈O₁₁

InChI: InChI=1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h10,14,19,21,25-27,29H,9,11-13,15-18H2,1-8H3/b20-10+/t19-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1

InChI key: InChIKey=YUTIPMUBYJJHKA-LZLNCZMXSA-N

SMILES: C(OC(C)=O)[C@]12[C@@]3(CO3)CC[C@@H](OC([C@H](CC)C)=O)[C@@]1([C@](C[C@H](OC(/C(=C/C)/C)=O)C4=CC(=O)OC4)(C)[C@H](C)C[C@@H]2OC(C)=O)[H]

Synonyms:

• 2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-
• Spiro[naphthalene-1(2H),2′-oxirane], 2-butenoic acid deriv.
• Ajugamarin H 1
• 2-Butenoic acid, 2-methyl-, 2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-(2-methyl-1-oxobutoxy)spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, [1R-[1α,4β(S*),4aβ,5β[S*(E)],6α,8α,8aα]]-

Ajugamarin H1

CAS: 122616-88-0

Ajugamarin H1 is an allelochemical-based herbicide derived from natural plant sources, specifically from species within the genus Ajuga. It functions primarily through antimitotic action, disrupting cell division in target plant tissues by inhibiting microtubule formation. This interference with the spindle apparatus prevents proper chromosomal alignment and segregation, arresting mitosis and leading to the eventual death of the plant cells.

Formula: C₃₄H₄₈O₁₁

Purity: Min. 95%

Molecular weight: 632.70 g/mol

Ref: 3D-XEA61688