10704181
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
    7.2436    2.9795   -0.5462 O   0  0  0  0  0  0  0  0  0  1
    5.9861    2.7804    0.0310 C   0  0  2  0  0  0  0  0  0  2
    7.0462    1.6815    0.2126 C   0  0  2  0  0  0  0  0  0  3
    7.4049    0.5865   -0.8650 C   0  0  0  0  0  0  0  0  0  4
    4.7809    2.4989   -0.9141 C   0  0  0  0  0  0  0  0  0  5
    5.7084    3.5421    1.3402 C   0  0  0  0  0  0  0  0  0  6
    7.6434   -0.8796   -0.2524 C   0  0  0  0  0  0  0  0  0  7
    3.9362    1.5415   -0.1677 C   0  0  0  0  0  0  0  0  0  8
    2.8302   -0.6248    0.0248 C   0  0  0  0  0  0  0  0  0  9
    6.3688   -1.7200   -0.0562 C   0  0  0  0  0  0  0  0  0 10
    3.2895    0.5586   -0.8056 C   0  0  0  0  0  0  0  0  0 11
    3.8220   -1.7866   -0.3419 C   0  0  0  0  0  0  0  0  0 12
    5.2057   -1.1698   -0.3457 C   0  0  0  0  0  0  0  0  0 13
    2.9800   -0.2905    1.5264 C   0  0  0  0  0  0  0  0  0 14
    1.3892   -1.0630   -0.2975 C   0  0  0  0  0  0  0  0  0 15
    6.4577   -3.1540    0.3817 C   0  0  0  0  0  0  0  0  0 16
    7.7208    1.7476    1.0776 H   0  0  0  0  0  0  0  0  0 17
    6.5853    0.5294   -1.5813 H   0  0  0  0  0  0  0  0  0 18
    8.3156    0.8959   -1.3778 H   0  0  0  0  0  0  0  0  0 19
    4.2311    3.4173   -1.1201 H   0  0  0  0  0  0  0  0  0 20
    5.1219    2.0608   -1.8521 H   0  0  0  0  0  0  0  0  0 21
    4.7035    3.3079    1.6913 H   0  0  0  0  0  0  0  0  0 22
    5.7896    4.6143    1.1615 H   0  0  0  0  0  0  0  0  0 23
    6.4354    3.2440    2.0957 H   0  0  0  0  0  0  0  0  0 24
    8.3059   -1.4232   -0.9260 H   0  0  0  0  0  0  0  0  0 25
    8.1255   -0.7656    0.7185 H   0  0  0  0  0  0  0  0  0 26
    3.8393    1.6374    0.9137 H   0  0  0  0  0  0  0  0  0 27
    3.1006    0.6065   -1.8781 H   0  0  0  0  0  0  0  0  0 28
    3.7643   -2.5822    0.4010 H   0  0  0  0  0  0  0  0  0 29
    3.5848   -2.1902   -1.3263 H   0  0  0  0  0  0  0  0  0 30
    5.2459   -0.1181   -0.6291 H   0  0  0  0  0  0  0  0  0 31
    2.6499   -1.1408    2.1231 H   0  0  0  0  0  0  0  0  0 32
    2.3706    0.5805    1.7678 H   0  0  0  0  0  0  0  0  0 33
    4.0251   -0.0751    1.7487 H   0  0  0  0  0  0  0  0  0 34
    1.1188   -1.9132    0.3286 H   0  0  0  0  0  0  0  0  0 35
    1.3222   -1.3495   -1.3471 H   0  0  0  0  0  0  0  0  0 36
    0.7055   -0.2368   -0.1025 H   0  0  0  0  0  0  0  0  0 37
    5.4546   -3.5725    0.4627 H   0  0  0  0  0  0  0  0  0 38
    6.9529   -3.2083    1.3513 H   0  0  0  0  0  0  0  0  0 39
    7.0303   -3.7232   -0.3506 H   0  0  0  0  0  0  0  0  0 40
  1  2  1  0  0  0
  1  3  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  7  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  8  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 10  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8 11  2  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 12  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
 10 13  2  0  0  0
 10 16  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10704181

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADlSggAICAAAABACAAiBCAAAAAAAgAAAICAAAAAgAAAIAAQACAAAEwAAIAAOAwMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene

> <PUBCHEM_IUPAC_NAME>
(1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QTGAEXCCAPTGLB-UOAUIWSESA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCC(C=CCC2(C(O2)CC1)C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C\CC(/C=C/C[C@@]2([C@H](O2)CC1)C)(C)C

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
2  6  6
3  17  5

$$$$