Products 936323-13-6

CAS 936323-13-6 is the registry number for Ajuganipponin A. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

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

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

Source: ChEBI

Identity
Molecular formulaC31H42O11
Molecular weight590.7 g/mol
IUPAC name[(1S)-2-[(1S,2R,4S,4aR,5R,8R,8aR)-4,8-diacetyloxy-4a-(acetyloxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (E)-2-methylbut-2-enoate
InChIKeySJNMHXILDVKBPL-BEEMTZEWSA-N
SMILESC/C=C(\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)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4

Computed by PubChem (NCBI)