CAS 1897-30-9: Methyl (2S,3E,7aS,12bS,13R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-2H-2,7a-methanoindolo[2,3-a]quinolizine-13-carboxylate

Description:The chemical substance with the name "Methyl (2S,3E,7aS,12bS,13R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-2H-2,7a-methanoindolo[2,3-a]quinolizine-13-carboxylate" and CAS number 1897-30-9 is a complex organic compound characterized by its intricate polycyclic structure, which includes indole and quinolizine moieties. This compound features multiple stereocenters, indicating that it exists in specific stereoisomeric forms, which can significantly influence its biological activity and chemical reactivity. The presence of functional groups such as hydroxymethyl and ethylidene contributes to its potential reactivity and solubility properties. Additionally, the methyl ester functional group suggests that it may undergo hydrolysis to release the corresponding carboxylic acid. Compounds of this nature are often studied for their pharmacological properties, as they may exhibit various biological activities, including antimicrobial or anticancer effects. The specific stereochemistry and functional groups present in this molecule are crucial for understanding its interactions in biological systems and its potential applications in medicinal chemistry.

Formula:C₂₁H₂₄N₂O₃

InChI:InChI=1S/C21H24N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-18(20)17(23)10-15(13)21(20,12-24)19(25)26-2/h3-7,15,17,24H,8-12H2,1-2H3/b13-3-/t15-,17-,20+,21-/m0/s1

InChI key:InChIKey=XLHUHYFKFFGUFE-OQTQPSEISA-N

SMILES:O=C(OC)C1(CO)C2C(=CC)CN3CCC41C=5C=CC=CC5N=C4C3C2

Synonyms:
Methyl (2S,3E,7aS,12bS,13R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-2H-2,7a-methanoindolo[2,3-a]quinolizine-13-carboxylate
Akuammiline, 17-deacetyl-
2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-, methyl ester, (2S,3E,7aS,12bS,13R)-
Akuammilan-16-carboxylic acid, 17-hydroxy-, methyl ester, (16R)-
Akuammiline, deacetyl-