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CAS 3512-87-6

:

Methyl (2S,3E,7aS,12aS,12bS,15R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-2H,12H-12a,2,7a-(epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylate

Description:
Methyl (2S,3E,7aS,12aS,12bS,15R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-2H,12H-12a,2,7a-(epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylate, with CAS number 3512-87-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This substance features a quinolizine core, which is a bicyclic structure known for its biological activity. The presence of hydroxyl and carboxylate groups suggests potential for hydrogen bonding and reactivity, making it of interest in medicinal chemistry. The stereochemistry indicated by the (S) and (R) designations implies specific spatial arrangements that can significantly influence the compound's biological interactions and pharmacological properties. Additionally, the ethylidene and epoxy functionalities may contribute to its chemical reactivity and stability. Overall, this compound exemplifies the complexity often found in natural products and synthetic derivatives, highlighting its potential applications in drug development and research.
Formula:C22H26N2O4
InChI:InChI=1/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15?,18-,20-,21?,22?/m0/s1
InChI key:InChIKey=YILKZADAWNUTTB-QLWRWLBVSA-N
SMILES:C(OC)(=O)[C@@]12[C@]34[C@]([C@]5(N(CC3)C\C(=C\C)\[C@@]1(C5)[H])[H])(N(C)C=6C4=CC(O)=CC6)OC2
Synonyms:
  • Akuammine
  • 2H,12H-12a,2,7a-(Epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-, methyl ester, [2S-(2α,3E,7aα,12aα,12bβ,15S*)]-
  • 2H,12H-12a,2,7a-(Epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-, methyl ester, (2S,3E,7aS,12aS,12bS,15R)-
  • Methyl (2S,3E,7aS,12aS,12bS,15R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-2H,12H-12a,2,7a-(epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylate
  • 2H,12H-12a,2,7a-(Epoxyethanylylidene)indolo[2,3-a]quinolizine-15-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-9-hydroxy-12-methyl-, methyl ester
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  • Akuammine

    CAS:
    <p>Akuammine is an antimalarial indolemonoterpene alkaloid from Picralima nitida seeds.</p>
    Formula:C22H26N2O4
    Color and Shape:Solid
    Molecular weight:382.45