3–Acetylyunaconitine

cas: 80787-51-5 — see every product listed under this CAS number, including other names

3–Acetylyunaconitine (CAS 80787-51-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGF31942-5mg
cas80787-51-5
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 3424.06 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate (CAS 80787-51-5) is a chemical compound with the molecular formula C37H51NO12 and a molecular weight of 701.8 g/mol. IUPAC name: [(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate. InChIKey: QXHJUYOYZPRGCF-AEGHEJSHSA-N.

Identity
Molecular formulaC37H51NO12
Molecular weight701.8 g/mol
IUPAC name[(1S,2R,3R,4R,5S,6S,8R,10R,13R,14R,16S,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
InChIKeyQXHJUYOYZPRGCF-AEGHEJSHSA-N
SMILESCCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2C(C([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)OC(=O)C)COC

Computed by PubChem (NCBI)

Synonyms: 3-Acetylyunaconitine

Also listed as

3-Acetylyunaconitine Biosynth CAS 80787-51-5