
 D-Tetrahydropalmatine

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.6110   -0.5812   -2.1443 C   0  0  0  0  0
    3.2254    0.3282   -1.1217 O   0  0  0  0  0
    3.8425    1.5518   -1.0977 C   0  0  0  0  0
    3.2692    2.5569   -0.2928 C   0  0  0  0  0
    3.8202    3.8570   -0.2637 C   0  0  0  0  0
    4.9428    4.1465   -1.0564 C   0  0  0  0  0
    5.5477    5.5272   -1.0633 C   0  0  0  0  0
    4.6677    6.6033   -0.3808 C   0  0  0  0  0
    5.5135    7.8400   -0.1097 C   0  0  0  0  0
    5.8722    8.6904   -1.1648 C   0  0  0  0  0
    6.6780    9.8152   -0.9517 C   0  0  0  0  0
    7.1725   10.0859    0.3338 C   0  0  0  0  0
    6.8015    9.2454    1.3941 C   0  0  0  0  0
    5.9908    8.1179    1.1801 C   0  0  0  0  0
    5.5822    7.2490    2.3470 C   0  0  0  0  0
    4.9465    5.9121    1.9304 C   0  0  0  0  0
    3.9899    6.1265    0.8413 N   0  0  0  0  0
    3.1588    4.9478    0.5519 C   0  0  0  0  0
    7.9918   11.1721    0.4940 O   0  0  0  0  0
    8.8689   11.1577    1.6132 C   0  0  0  0  0
    6.9576   10.5085   -2.1026 O   0  0  0  0  0
    7.0546   11.9217   -1.9718 C   0  0  0  0  0
    5.5372    3.1335   -1.8151 C   0  0  0  0  0
    4.9944    1.8484   -1.8325 C   0  0  0  0  0
    2.1053    2.3923    0.4237 O   0  0  0  0  0
    2.0581    1.2171    1.2276 C   0  0  0  0  0
    4.6285   -0.9495   -1.9784 H   0  0  0  0  0
    3.5080   -0.1319   -3.1379 H   0  0  0  0  0
    2.9365   -1.4417   -2.0971 H   0  0  0  0  0
    6.5281    5.4625   -0.5723 H   0  0  0  0  0
    5.7293    5.8277   -2.1039 H   0  0  0  0  0
    3.8735    6.9029   -1.0800 H   0  0  0  0  0
    5.5196    8.4838   -2.1732 H   0  0  0  0  0
    7.1270    9.4531    2.4087 H   0  0  0  0  0
    4.8619    7.8157    2.9507 H   0  0  0  0  0
    6.4562    7.0419    2.9763 H   0  0  0  0  0
    5.7304    5.1969    1.6526 H   0  0  0  0  0
    4.4421    5.4943    2.8104 H   0  0  0  0  0
    2.2754    5.2853   -0.0059 H   0  0  0  0  0
    2.7839    4.5421    1.4997 H   0  0  0  0  0
    9.5986   11.9611    1.4732 H   0  0  0  0  0
    9.4214   10.2143    1.6801 H   0  0  0  0  0
    8.3236   11.3640    2.5393 H   0  0  0  0  0
    6.8577   12.3561   -2.9570 H   0  0  0  0  0
    8.0695   12.2145   -1.6890 H   0  0  0  0  0
    6.3104   12.3274   -1.2782 H   0  0  0  0  0
    6.4259    3.3440   -2.4069 H   0  0  0  0  0
    5.4924    1.1022   -2.4423 H   0  0  0  0  0
    1.5738    0.4021    0.6819 H   0  0  0  0  0
    1.4337    1.4397    2.0987 H   0  0  0  0  0
    3.0452    0.9152    1.5951 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5 18  1  0  0  0
  5  6  2  0  0  0
  6 23  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
M  END

>  <Chemical Name>
D-Tetrahydropalmatine

>  <PubChem CID>
969488

>  <Formula>
C21H25NO4

>  <Molecular Weight>
355.434000

>  <IUPAC Name>
(13aR)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

>  <Isomeric SMILES>
COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

>  <InChI Std. ID>
InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1

>  <InChI Key>
AEQDJSLRWYMAQI-QGZVFWFLSA-N

