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CAS 77181-26-1

:

3-Acetylaconitine

Description:
3-Acetylaconitine is an alkaloid derived from the plant Aconitum, commonly known as monkshood or wolfsbane. It is characterized by its complex molecular structure, which includes a bicyclic framework typical of many aconitine derivatives. This compound exhibits a range of biological activities, including analgesic and anti-inflammatory properties, but it is also known for its toxicity, which can lead to severe poisoning if ingested. The presence of an acetyl group in its structure contributes to its pharmacological effects. 3-Acetylaconitine is often studied for its potential therapeutic applications, particularly in pain management, but its use is limited due to safety concerns. In terms of physical properties, it is typically a crystalline solid, and its solubility can vary depending on the solvent used. As with many natural products, the extraction and purification of 3-acetylaconitine require careful handling to ensure safety and efficacy in research and potential medicinal applications.
Formula:C36H49NO12
InChI:InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1
InChI key:InChIKey=RIPYIJVYDYCPKW-NNSXUSQFSA-N
SMILES:O(C)[C@@H]1[C@@]23[C@]4([C@@](COC)([C@H](OC(C)=O)C1)CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[H]
Synonyms:
  • (16Beta)-3,8-Bis(Acetyloxy)-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
  • 11aH-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
  • 3,8-Bis(Acetyloxy)-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-20-Ium-14-Yl Benzoate Bromide
  • 3-Acetylaconitine
  • 3-O-Acetylaconitine
  • Aconine 3,8-diacetate 14-benzoate
  • Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
  • Aconitine 3-acetate
  • Aconitine 3-monoacetate
  • Flaconitine
  • Monoacetylaconitine
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