Cas no 20045-06-1 (2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)-)

2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)- structure
20045-06-1 structure
Product Name:2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)-
CAS No:20045-06-1
MF:C21H22N2O4
MW:366.410385608673
CID:289386
PubChem ID:73814608
Update Time:2025-04-19

2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)- Chemical and Physical Properties

Names and Identifiers

    • Picralinal
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-for...
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, m
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)-
    • Methyl (2β,5β,15α,16ξ,19Z)-17-oxo-1,2-dihydro-2,5-epoxyakuammilan -16-carboxylate
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine,akuammilan-16-carboxylic acid deriv.
    • Akuammilan-16-carboxylicacid, 2,5-epoxy-1,2-dihydro-17-oxo-, methyl ester, (2a,5a,16R)-
    • Picralinal (7CI)
    • Picraline,16-de(acetoxymethyl)-16-formyl- (8CI)
    • [ "" ]
    • Picraline, 16-de(acetoxymethyl)-16-formyl-; 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine, akuammilan-16-carboxylic acid deriv.
    • 20045-06-1
    • methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
    • CHEMBL590273
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester, (2S,3E,6S,7aS,12aR,12bS,14R)-
    • AKOS040762194
    • methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15.0^{1,9.0^{3,8.0^{12,17]nonadeca-3,5,7-triene-19-carboxylate
    • methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo(9.6.1.19,15.01,9.03,8.012,17)nonadeca-3,5,7-triene-19-carboxylate
    • Inchi： 1S/C21H22N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,11,14,16-17,22H,8-10H2,1-2H3/b12-3-/t14-,16-,17-,19-,20-,21-/m0/s1
    • InChI Key： RHBAENOZUZWALZ-GGZNVOGHSA-N
    • SMILES： O1[C@H]2C[C@@]34C5C=CC=CC=5N[C@@]13[C@@H]1C[C@@H](/C(=C\C)/CN12)[C@@]4(C=O)C(=O)OC

Computed Properties

  • Exact Mass: 366.15795719g/mol
  • Monoisotopic Mass: 366.15795719g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 767
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • Color/Form: Powder

2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)- Security Information

  • Storage Condition：Store at room temperature, 2-8 ℃ is better

2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)- Pricemore >>

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2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-14-formyl-1,3,4,6,7,12b-hexahydro-, methyl ester,(2S,3E,6S,7aS,12aR,12bS,14R)- Related Literature

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