Ajugamarin G 1

cas: 122587-83-1 — see every product listed under this CAS number, including other names

Ajugamarin G 1 (CAS 122587-83-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGF16970-5mg
cas122587-83-1
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 2628.38 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Ajugamarin G1 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 formulaC34H48O11
Molecular weight632.7 g/mol
IUPAC name[(1S)-2-[(1S,2R,4S,4aR,5R,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
InChIKeyJTNPKPFJZRMAJE-FKSBINAYSA-N
SMILESCC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CC[C@]23CO3)OC(=O)/C(=C/C)/C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4

Computed by PubChem (NCBI)

Isomers (same molecular formula)
[(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate C34H48O11

Also listed as

Ajugamarin G1 Biosynth CAS 122587-83-1