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CAS 4835-69-2

:

Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-

Description:
Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, with the CAS number 4835-69-2, is a chemical compound belonging to the class of alkaloids, specifically derived from the Ajmaline family. This compound features a complex structure characterized by multiple functional groups, including a carboxylic acid and an ester, which contribute to its reactivity and potential biological activity. The presence of double bonds in the structure indicates unsaturation, which can influence its stability and interactions with other molecules. Ajmalan derivatives are often studied for their pharmacological properties, including potential effects on cardiovascular health and their role in traditional medicine. The stereochemistry, indicated by the specific configuration at various chiral centers, is crucial for the compound's biological activity and interaction with biological targets. Overall, Ajmalan-16-carboxylic acid methyl ester represents a fascinating area of study within natural product chemistry and medicinal research.
Formula:C21H24N2O3
InChI:InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16-,17+,18-,20?,21?/m0/s1
InChI key:InChIKey=RLUORQGMBKDXPO-XBWCDCIKSA-N
SMILES:O[C@H]1C23[C@@]([C@]4([N@]5[C@@](C2)(C1(C(OC)=O)C(C4)/C(=C\C)/C5)[H])[H])(NC=6C3=CC=CC6)[H]
Synonyms:
  • Ajmalan-16-carboxylic acid, 19,20-didehydro-1-demethyl-17-hydroxy-, methyl ester, (2α,17S,19E)-
  • Quebrachidine
  • (+)-Quebrachidine
  • 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine, ajmalan-16-carboxylic acid deriv.
  • Quebrachidin
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