(1S,3S)-5-(4,5-Dimethoxy-2-Methyl-1-Naphthyl)-8-Methoxy-1,3-Dimethyl-1,2,3,4-Tetrahydro-6-Isoquinolinol

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Properties Simple | Detailed

Formula C25H29NO4
IUPAC Name (1s,3s)-5-(4,5-dimethoxy-2-methyl-1-naphthyl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Molecular Mass 407.502 g·mol−1
Heat of Formation -505.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 504.87 Å 3
Surface Area 406.11 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-ancistrocladine
  • (1s,3s)-5-(4,5-dimethoxy-2-methyl-1-naphthyl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
  • (1s,3s)-5-(4,5-dimethoxy-2-methyl-naphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
  • (1s,3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
  • 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-6-isoquinolinol
  • 6-isoquinolinol, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-1,2,3,4-tetrahydro-8-methoxy-1,3-dimethyl-, stereoisomer
  • ancistrocladine
CAS Number(s)
  • 32221-59-3
  • 56688-90-5
InChIKey XUFOYASAFNKRRE-GJZGRUSLSA-N
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