Products 123497-99-4
CAS 123497-99-4 is the registry number for Barbinine. Offered by: MedChemExpress. Available pack sizes: Get quote.
Barbinine is a diterpene alkaloid that is a phytotoxin produced by several Delphinium species. It has a role as a phytotoxin. It is a diterpene alkaloid, an ether, a tertiary alcohol, a dicarboximide, a benzoate ester, an organic heteropolycyclic compound, a pyrrolidinone and a tertiary amino compound. It derives from a hydride of an aconitane.
Source: ChEBI
| Molecular formula | C36H46N2O10 |
|---|---|
| Molecular weight | 666.8 g/mol |
| IUPAC name | [(1S,2R,3S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate |
| InChIKey | VBFGMIUWGBSAGV-UCFHPTPSSA-N |
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C |
Computed by PubChem (NCBI)
Synonyms:
Barbinine