6432176
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.7265   -0.8321   -0.1054 C   0  0  3  0  0  0  0  0  0  1
    6.2994   -1.0606    0.3412 C   0  0  0  0  0  0  0  0  0  2
    5.9816    0.1476   -0.3491 C   0  0  3  0  0  0  0  0  0  3
    3.5961    0.1717    0.5402 C   0  0  1  0  0  0  0  0  0  4
    6.0770    1.4656    0.3950 C   0  0  0  0  0  0  0  0  0  5
    3.6582    1.6215   -0.0200 C   0  0  0  0  0  0  0  0  0  6
    2.2232   -0.4638    0.1920 C   0  0  2  0  0  0  0  0  0  7
    4.9917    2.3332   -0.2080 C   0  0  0  0  0  0  0  0  0  8
    6.7327   -0.9047    1.8209 C   0  0  0  0  0  0  0  0  0  9
    7.0625   -2.0860   -0.5133 C   0  0  0  0  0  0  0  0  0 10
    3.6120    0.2421    2.1278 C   0  0  0  0  0  0  0  0  0 11
    1.1137    0.4409    0.7112 C   0  0  0  0  0  0  0  0  0 12
    2.5430    2.3113   -0.2851 C   0  0  0  0  0  0  0  0  0 13
    1.1414    1.7532   -0.1095 C   0  0  0  0  0  0  0  0  0 14
    2.1281   -1.8598    0.8473 C   0  0  0  0  0  0  0  0  0 15
    4.5027   -1.0605   -1.1583 H   0  0  0  0  0  0  0  0  0 16
    6.2698    0.1741   -1.4089 H   0  0  0  0  0  0  0  0  0 17
    5.9017    1.3177    1.4606 H   0  0  0  0  0  0  0  0  0 18
    7.0570    1.9193    0.2469 H   0  0  0  0  0  0  0  0  0 19
    2.1130   -0.5655   -0.8967 H   0  0  0  0  0  0  0  0  0 20
    4.9689    3.2996    0.2957 H   0  0  0  0  0  0  0  0  0 21
    5.1848    2.4813   -1.2705 H   0  0  0  0  0  0  0  0  0 22
    8.0864   -2.1725   -0.1497 H   0  0  0  0  0  0  0  0  0 23
    7.0731   -1.7575   -1.5526 H   0  0  0  0  0  0  0  0  0 24
    7.8023   -1.0949    1.9089 H   0  0  0  0  0  0  0  0  0 25
    6.1854   -1.6179    2.4374 H   0  0  0  0  0  0  0  0  0 26
    6.5154    0.1086    2.1588 H   0  0  0  0  0  0  0  0  0 27
    6.5698   -3.0558   -0.4443 H   0  0  0  0  0  0  0  0  0 28
    2.8354    0.9264    2.4695 H   0  0  0  0  0  0  0  0  0 29
    4.5846    0.5991    2.4665 H   0  0  0  0  0  0  0  0  0 30
    3.4268   -0.7507    2.5379 H   0  0  0  0  0  0  0  0  0 31
    0.1486   -0.0508    0.5895 H   0  0  0  0  0  0  0  0  0 32
    1.2796    0.6610    1.7658 H   0  0  0  0  0  0  0  0  0 33
    2.6463    3.3337   -0.6485 H   0  0  0  0  0  0  0  0  0 34
    0.7198    1.5558   -1.0951 H   0  0  0  0  0  0  0  0  0 35
    0.5328    2.4974    0.4042 H   0  0  0  0  0  0  0  0  0 36
    1.1655   -2.3104    0.6057 H   0  0  0  0  0  0  0  0  0 37
    2.2212   -1.7611    1.9289 H   0  0  0  0  0  0  0  0  0 38
    2.9304   -2.4941    0.4703 H   0  0  0  0  0  0  0  0  0 39
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  5  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
  4 11  1  0  0  0
  5  8  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  8  1  0  0  0
  6 13  2  0  0  0
  7 12  1  0  0  0
  7 15  1  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 14  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6432176

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAAAAAAAwQAAABgAAAACAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_NAME>
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7S,7aS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12?,13?,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MBIPADCEHSKJDQ-LAKVINJISA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC=C2C1(C3C(C3(C)C)CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CCC=C2[C@@]1(C3C(C3(C)C)CC2)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
1  16  3
3  17  3
4  11  5
7  15  5

$$$$
