Products 47326-53-4

CAS 47326-53-4 is the registry number for Spegatrine. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote.

Spegatrine
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol (CAS 47326-53-4) is a chemical compound with the molecular formula C20H25N2O2+ and a molecular weight of 325.4 g/mol. IUPAC name: (1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol. InChIKey: DOTYYDUNWITJSJ-SYMHJQAPSA-O.

Identity
Molecular formulaC20H25N2O2+
Molecular weight325.4 g/mol
IUPAC name(1S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-ol
InChIKeyDOTYYDUNWITJSJ-SYMHJQAPSA-O
SMILESC/C=C\1/C[N+]2([C@H]3C[C@H]1[C@H](C2CC4=C3NC5=C4C=C(C=C5)O)CO)C

Computed by PubChem (NCBI)

Synonyms: Spegatrine, Sarpaganium, 10,17-dihydroxy-4-methyl-