Echiumine N-oxide

cas: 685554-68-1 — see every product listed under this CAS number, including other names

Echiumine N-oxide (CAS 685554-68-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas685554-68-1
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Structural formula: {0} (CAS {1})

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate (CAS 685554-68-1) is a chemical compound with the molecular formula C20H31NO7 and a molecular weight of 397.5 g/mol. IUPAC name: [(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate. InChIKey: MTHHNSCIBYQVSB-HCZJXQIGSA-N.

Identity
Molecular formulaC20H31NO7
Molecular weight397.5 g/mol
IUPAC name[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
InChIKeyMTHHNSCIBYQVSB-HCZJXQIGSA-N
SMILESC/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O)[O-]

Computed by PubChem (NCBI)

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