Cas no 14509-92-3 ((3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester)

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester is a sterically constrained indole alkaloid derivative with a corynan skeleton. Its key structural features include a conjugated E-alkene at C16-C17 and methoxy substitutions at C9 and C17, contributing to its stability and potential reactivity in synthetic applications. The methyl ester moiety enhances solubility in organic solvents, facilitating purification and handling. This compound serves as a valuable intermediate in the synthesis of complex natural products and pharmacologically active molecules, particularly those targeting neurological pathways. Its rigid polycyclic framework makes it useful for studying stereoelectronic effects in alkaloid chemistry. The product is typically characterized by HPLC, NMR, and mass spectrometry to ensure high purity (>95%).
(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester structure
14509-92-3 structure
Product Name:(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester
CAS No:14509-92-3
MF:C23H30N2O4
MW:398.495306491852
CID:196634
Update Time:2025-11-01

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Indolo[2,3-a]quinolizine-2-aceticacid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-a-(methoxymethylene)-, methylester, (aE,2S,3R,12bR)-
    • (3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester
    • Indolo[2,3-a]quinolizine-2-aceticacid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-a-(methoxymethylene)-, methylester, (aE
    • 17,18-Seco-3b-yohimban-16-carboxylic acid,16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)- (8CI)
    • Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (3b,16E)-
    • Indolo[2,3-a]quinolizine, corynan-16-carboxylic acid deriv.
    • Indolo[2,3-a]quinolizine-2-aceticacid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-a-(methoxymethylene)-, methylester, [2S-[2a(E),3b,12ba]]-
    • Mitraciliatin
    • Mitraciliatine (7CI)
    • Mitraciliatine
    • CID 101281070
    • Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-α-(methoxymethylene)-, methyl ester, (αE,2S,3R,12bR)-
    • Inchi： 1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14?,16-,19+/m0/s1
    • InChI Key： LELBFTMXCIIKKX-RGVOBYJXSA-N
    • SMILES： O(C)C1=CC=CC2=C1C1CCN3CC(CC)[C@@H](/C(=C\OC)/C(=O)OC)C[C@@H]3C=1N2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 624
  • Topological Polar Surface Area: 63.8

Experimental Properties

  • Density: 1.22±0.1 g/cm3(Predicted)
  • Melting Point: 140-141 °C
  • Boiling Point: 560.3±50.0 °C(Predicted)
  • pka: 18.35±0.60(Predicted)

(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
1PlusChem
1P00AZ1T-1mg
(3β,16E)-16,17-Didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester
 14509-92-3 ≥98%
1mg
 $611.00 2024-06-20

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