Ajugapantin A

cas: 121449-67-0 — see every product listed under this CAS number, including other names

Ajugapantin A (CAS 121449-67-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg. Offered by: GLPBio, Biosynth.

brandGLPBio
catalog numberGF16967-5mg
cas121449-67-0
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 2628.38 Pln
Biosynth 10mg price on request
Biosynth 25mg price on request
Biosynth 50mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
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
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C28H38O11
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate C28H38O11

Also listed as

Ajugapantin A Biosynth CAS 121449-67-0