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ScientificNameLabel
(–)-fumarophycine
PHCD compound ID : 3413
Chemical Names :
(–)-fumarophycine
Molecular Formula : C22H23N1O6
Molecular Weight : 397.152537
More Details :
Names & Synonyms: [(1S,8'R)-7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate , acetic acid [(1S,8'R)-7-hydroxy-6-methoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]yl] ester , [(1S,8'R)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate , [(1S,8'R)-6-methoxy-2-methyl-7-oxidanyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] ethanoate , acetic acid [(1S,8'R)-7-hydroxy-6-methoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] ester
Smiles: COc1cc2CCN([C@]3(c2cc1O)Cc1c([C@H]3OC(=O)C)c2OCOc2cc1)C
InChi : InChI=1S/C22H23NO6/c1-12(24)29-21-19-14(4-5-17-20(19)28-11-27-17)10-22(21)15-9-16(25)18(26-3)8-13(15)6-7-23(22)2/h4-5,8-9,21,25H,6-7,10-11H2,1-3H3/t21-,22+/m1/s1
InChi Key : InChIKey=VIRGMCFNCOBYML-YADHBBJMSA-N
PubChem ID : 101316764
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.359500
Hydrogen bond donor count : 1 Electric dipole moment : 2.227
XLogP : 1.073 VDW volume : 350.768736
Molecular weight : 397.152537 HOMO-LUMO gap : 8.258000
Herb list :
Refrences & Litretures:
  
473.      Journal:'Magn. Reson. Chem'      Year:'2004'      Volume:'42'      Page:'882'      DOI:'10.1002/mrc.1417'      Title:'1Hand 13C NMR signal assignment of benzylisoquinoline alkaloids from Fumaria of?cinalis L. (Papaveraceae)'
474.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1112'      Page:'331'      DOI:'10.1016/j.chroma.2005.12.008'      Title:'Quanti?cation of Fumaria of?cinalis isoquinoline alkaloids by nonaqueous capillary electrophoresis–electrospray ion trap mass spectrometry'
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