2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, (2E)-

CAS Registry Number®

5835-04-1
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CAS Name

2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, (2E)-

Molecular Formula

C24H30N2O3

Molecular Mass

394.51

Cite this Page

2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, (2E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5835-04-1 (retrieved 2024-09-07) (CAS RN: 5835-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    276-278 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2/b10-9+/t18-,19-,20-,21+,22-/m0/s1

InChIKey

InChIKey=PUFYZCKVLOYPHL-MFYPYBFPSA-N

SMILES

O(C(/C=C/C1=CC=CC=C1)=O)[C@@H]2C[C@]3([C@]4(C[C@@](CN3CC2)([C@@]5(N(C4)C(=O)CCC5)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CCN2CC3CC(CN4C(=O)CCCC43)C2C1)C=CC=5C=CC=CC5

Other Names for this Substance

  • 2-Propenoic acid, 3-phenyl-, (2S,7S,7aR,14S,14aS)-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, (2E)-
  • Lupanine, 13-hydroxy-, cinnamate (ester), (E)-
  • 2-Propenoic acid, 3-phenyl-, dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocin-2-yl ester, [2S-[2α(E),7β,7aβ,14β,14aα]]-
  • 7,14-Methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocine, 2-propenoic acid deriv.
  • Cinnamic acid, ester with 13-hydroxylupanine, (E)-

View All

Deleted or Replaced CAS Registry Numbers

41376-31-2, 804473-87-8, 826989-56-4, 911049-13-3