Products 121449-67-0

CAS 121449-67-0 appears in our catalog under these names: Ajugapantin A, Ajugapantin A. Offered by: GLPBio, Biosynth. Available pack sizes: 5mg, 10mg, 25mg, 50mg.

Structural formula: {0} (CAS {1})

Ajugapantin A is a spiro-epoxide, an acetate ester, a diterpene lactone and a butenolide. It has a role as a plant metabolite.

Source: ChEBI

Identity
Molecular formulaC28H38O11
Molecular weight550.6 g/mol
IUPAC name[(1R,4R,4aR,5S,7R,8S,8aR)-1,5-diacetyloxy-8-[(2S)-2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
InChIKeyKBIJVGBQDPMKKO-BAOLRMIKSA-N
SMILESC[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C[C@@H](C3=CC(=O)OC3)OC(=O)C)[C@@H](CC[C@]24CO4)OC(=O)C)COC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Ajugapantin A