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ScientificNameLabel
(–)-alpha-hydrastine
PHCD compound ID : 3411
Chemical Names :
(–)-alpha-hydrastine
Molecular Formula : C21H21N1O6
Molecular Weight : 383.136887
More Details :
Names & Synonyms: (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one , (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one , (3R)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl]phthalide
Smiles: COc1c(OC)ccc2c1C(=O)O[C@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2
InChi : InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1
InChi Key : InChIKey=JZUTXVTYJDCMDU-RTBURBONSA-N
PubChem ID : 442247
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.597281
Hydrogen bond donor count : 0 Electric dipole moment : 6.204
XLogP : 1.519 VDW volume : 333.472752
Molecular weight : 383.136887 HOMO-LUMO gap : 8.124000
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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