[(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate

CAS Registry Number®

27841-97-0

CAS Name

[(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate

Molecular Formula

C13H21NO3

Molecular Mass

239.31

Cite this Page

[(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27841-97-0 (retrieved 2024-11-22) (CAS RN: 27841-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1

InChIKey

InChIKey=LVZCTOQMFLAKLI-CSZIUDOQSA-N

SMILES

C(OC(/C(=C\C)/C)=O)[C@@H]1[C@@]2(N(C[C@@H]1O)CCC2)[H]

Canonical SMILES

O=C(OCC1C(O)CN2CCCC21)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, [(1S,2R,7aR)-hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl ester, (2Z)-
  • Macrophylline
  • 2-Butenoic acid, 2-methyl-, (hexahydro-2-hydroxy-1H-pyrrolizin-1-yl)methyl ester, [1S-[1α(Z),2α,7aα]]-
  • [(1S,2R,7aR)-Hexahydro-2-hydroxy-1H-pyrrolizin-1-yl]methyl (2Z)-2-methyl-2-butenoate
  • Macrophylline (Senecio)

Deleted or Replaced CAS Registry Numbers

857202-00-7