Products 3175-95-9

CAS 3175-95-9 appears in our catalog under these names: 3-Deoxyaconitine, 3-Deoxyaconitine/ 99.76% (existing batch purity), 3-Deoxyaconitine, 99.63%. Offered by: TRC, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 100mg, 10mg, 50mg, 1mg, 5mg, 25mg, 1 mg, 10 mg.

3-Deoxyaconitine
TRC, Biosynth
  • size: 100mg, 10mg, 50mg, 5mg
  • Variants: 7
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3-Deoxyaconitine/ 99.76% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 478.94
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3-Deoxyaconitine, 99.63%
MedChemExpress
  • size: 1 mg, 10 mg, 5 mg
  • Variants: 3
from 333.62
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Structural formula: {0} (CAS {1})

[(1S,2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate (CAS 3175-95-9) is a chemical compound with the molecular formula C34H47NO10 and a molecular weight of 629.7 g/mol. IUPAC name: [(1S,2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate. InChIKey: PHASMOUKYDUAOZ-AUQPBFSASA-N.

Identity
Molecular formulaC34H47NO10
Molecular weight629.7 g/mol
IUPAC name[(1S,2R,3R,4R,5R,6S,7S,8R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChIKeyPHASMOUKYDUAOZ-AUQPBFSASA-N
SMILESCCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)COC

Computed by PubChem (NCBI)

Synonyms: Deoxyaconitine
Isomers (same molecular formula)
[(1S,2R,3R,4R,5S,6S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate C34H47NO10