(3R)-6,7-Dimethoxy-3-[(5S)-4-Methoxy-6-Methyl-5,6,7,8-Tetrahydro[1,3]Dioxolo[4,5-G]Isoquinolin-5-Yl]-2-Benzofuran-1(3H)-One

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Properties Simple | Detailed

Formula C22H23NO7
IUPAC Name (3r)-6,7-dimethoxy-3-[(5s,6r)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-isobenzofuran-1-one
Molecular Mass 413.421 g·mol−1
Heat of Formation -828.8 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 459.74 Å 3
Surface Area 378.68 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (.+-.)-.alpha.-narcotine
  • (3r)-6,7-dimethoxy-3-[(5s)-4-methoxy-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-[(5s)-4-methoxy-6-methyl-7,8-dihydro-5h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3h-isobenzofuran-1-one
  • .alpha.-gnoscopine
  • 1(3h)-isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (r*,s*)-(.+-.)-
InChIKey AKNNEGZIBPJZJG-ZWKOTPCHSA-N
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