Products 117020-54-9

CAS 117020-54-9 appears in our catalog under these names: Usaramine N-Oxide, Usaramine N–oxide, Usaramine N-oxide, 99%, 99%, Usaramine N-oxide (Standard), Usaramine N-oxide, 99.0%. Offered by: Chemat Brand, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: on request, 5mg, 10mg, 25mg, 50mg, 1mg, Get quote, 10 mg.

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

Usaramine N-oxide is a pyrrolizine alkaloid that is senecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent. It has a role as a Jacobaea metabolite. It is a tertiary amine oxide, a primary alcohol, a diol, a tertiary alcohol, an organic heterotricyclic compound, a pyrrolizine alkaloid, a macrocyclic lactone and an olefinic compound. It is functionally related to an usaramine.

Source: ChEBI

Identity
Molecular formulaC18H25NO7
Molecular weight367.4 g/mol
IUPAC name(1R,4E,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
InChIKeyIDIMIWQPUHURPV-BEPQMMTDSA-N
SMILESC/C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C

Computed by PubChem (NCBI)