11725766
  -OEChem-05062420442D

 59 63  0     1  0  0  0  0  0999 V2000
    9.8462   -2.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    1.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0436   -1.3456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0356   -0.3040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1256    0.2029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2596   -0.2971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0316   -1.6554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3935    0.2029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1415   -1.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2435   -1.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0187    0.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6331   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1256    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0513   -2.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996   -0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    1.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7316   -2.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935   -0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0096    2.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0096    2.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079   -0.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1157    0.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8584    0.6336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9924   -0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406   -2.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388   -2.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6343   -1.2231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255   -1.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5537    0.3344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7633    0.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0971   -1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0907   -0.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7362    1.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3376    1.7855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4313   -2.3503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0561   -2.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6713   -2.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060   -0.8108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9042   -0.8016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2596    2.3229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1402   -2.4233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5456   -3.2007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3230   -2.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735   -0.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935   -1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0135   -0.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4102   -1.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5501    2.9131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    3.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4692    2.3055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5429    2.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3258    3.1310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762    2.9139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153   -0.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  1 52  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3 26  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  6  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 27  1  1  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 28  1  6  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  1  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 21  1  6  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 22  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11725766

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
657

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAeIAAAAwYIAAAAAAAHiBgAAAHgAECAAAD0TBmgQuhJAQAgCpArB3QgCAAAAkIAAgGCEkTFoAJBoAkYKAQIBmwAgISMOYyPCPgAAAAAAAAADAAAQAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]eicosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>R</I>,13<I>R</I>,14<I>S</I>,17<I>S</I>,18<I>S</I>)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.0<SUP>2,10</SUP>.0<SUP>4,8</SUP>.0<SUP>14,18</SUP>]icosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_NAME>
(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2R,13R,14S,17S,18S)-2,9,9,17,18-pentamethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]eicosa-4(8),5,10-trien-17-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H33NO2/c1-20(2)18-7-6-15-16(21(18,3)12-14-13-24-26-19(14)20)8-10-22(4)17(15)9-11-23(22,5)25/h7,13,15-17,25H,6,8-12H2,1-5H3/t15-,16+,17+,21-,22+,23+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AXLOCHLTNQDFFS-BESJYZOMSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
355.251129295

> <PUBCHEM_MOLECULAR_FORMULA>
C23H33NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
355.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2=CCC3C4CCC(C4(CCC3C2(CC5=C1ON=C5)C)C)(C)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC=C4[C@@]3(CC5=C(C4(C)C)ON=C5)C

> <PUBCHEM_CACTVS_TPSA>
46.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.251129295

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
8  1  6
2  23  8
2  3  8
22  23  8
22  26  8
3  26  8
4  16  6
5  27  5
6  28  6
7  29  5
9  21  6

$$$$