15984075
  -OEChem-05112410222D

 45 48  0     1  0  0  0  0  0999 V2000
    7.9157    3.2722    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    5.4243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    2.0711    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.3097    2.5466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1333    2.0711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9570    2.5466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4860    2.0711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8592    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2118    3.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    3.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    1.1200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1333    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    3.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    0.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    1.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    4.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    4.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    6.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6797    1.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484    1.7481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696    1.8346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960    3.8488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    3.5109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676    3.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1690    4.0803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8040    3.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189    3.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    0.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0079    0.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8841    0.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9157    1.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    5.2343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    6.0198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    6.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    7.0443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157    3.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 45  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
 15  3  1  6  0  0  0
  3 41  1  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 24  1  1  0  0  0
  8 12  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
  9 26  1  1  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 16 18  2  0  0  0  0
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 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15984075

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
509

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAEAAAAAAAAAAAAAAAAASAAAAA8YIEAAAAWAEjBAAAAHgAACAAADzzhmAYyBoMABgCAAiBCAAACCAAgIAAIiAAOiIgNNiKEsRuGeCKkwBGLuAew8P8PoAABAAAYQADQAAaAADSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>R</I>,4<I>a</I><I>R</I>,7<I>S</I>,7<I>a</I><I>R</I>,12<I>b</I><I>S</I>)-9-methoxy-3-methyl-2,4,4<I>a</I>,7,7<I>a</I>,13-hexahydro-1<I>H</I>-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H/t11-,12+,13-,17-,18-;/m0./s1

> <PUBCHEM_IUPAC_INCHIKEY>
NUXLENPAZQNFAM-FFHNEAJVSA-N

> <PUBCHEM_EXACT_MASS>
335.1288213

> <PUBCHEM_MOLECULAR_FORMULA>
C18H22ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
335.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.Cl

> <PUBCHEM_CACTVS_TPSA>
41.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.1288213

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
11  17  8
14  20  8
17  21  8
20  22  8
21  22  8
15  3  6
6  10  5
7  24  5
8  25  6
9  26  5

$$$$