(1S,4R,4aS,9aR,10aS,10bS,10cS,12R)-Hexahydro-12-methyl-10b,10c-ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one

CAS Registry Number®

559-49-9

CAS Name

(1S,4R,4aS,9aR,10aS,10bS,10cS,12R)-Hexahydro-12-methyl-10b,10c-ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one

Molecular Formula

C16H21NO3

Molecular Mass

275.34

Cite this Page

(1S,4R,4aS,9aR,10aS,10bS,10cS,12R)-Hexahydro-12-methyl-10b,10c-ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=559-49-9 (retrieved 2024-11-22) (CAS RN: 559-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232 °C

  • Density (1)

    1.28 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3

InChIKey

InChIKey=MVITYUVPZPGMRM-UHFFFAOYSA-N

SMILES

CC1C23C4(C(C5CC2C(=O)O5)CCCN4CC6C3O6)C1

Canonical SMILES

O=C1OC2CC1C34C5OC5CN6CCCC2C64CC3C

Other Names for this Substance

  • 10b,10c-Ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one, hexahydro-12-methyl-, (1S,4R,4aS,9aR,10aS,10bS,10cS,12R)-
  • Annotinine
  • 10b,10c-Ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one, hexahydro-12-methyl-, [1S-(1α,4α,4aα,9aα,10aα,10bα,10cβ,12S*)]-
  • (1S,4R,4aS,9aR,10aS,10bS,10cS,12R)-Hexahydro-12-methyl-10b,10c-ethano-1,4-methano-4H,9H-oxepino[3,4,5-ij]oxireno[b]quinolizin-2(1H)-one
  • Annotinin

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Deleted or Replaced CAS Registry Numbers

31250-42-7