15560276
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.5475   -1.1187   -0.7408 C   0  0  2  0  0  0  0  0  0  1
    5.6160   -1.7634    0.2628 C   0  0  0  0  0  0  0  0  0  2
    5.9303   -0.4677   -0.4799 C   0  0  2  0  0  0  0  0  0  3
    3.2810   -0.4756   -0.1798 C   0  0  0  0  0  0  0  0  0  4
    6.0093    0.8336    0.3937 C   0  0  0  0  0  0  0  0  0  5
    3.1732    0.8723    0.4167 C   0  0  1  0  0  0  0  0  0  6
    3.9222    2.0882   -0.2752 C   0  0  1  0  0  0  0  0  0  7
    5.5799   -1.5411    1.7951 C   0  0  0  0  0  0  0  0  0  8
    6.3534   -2.9998   -0.2867 C   0  0  0  0  0  0  0  0  0  9
    5.4434    1.8828   -0.5055 C   0  0  0  0  0  0  0  0  0 10
    2.1083   -1.1164   -0.0808 C   0  0  0  0  0  0  0  0  0 11
    1.6445    1.1172    0.3862 C   0  0  0  0  0  0  0  0  0 12
    1.0604   -0.2863    0.6294 C   0  0  0  0  0  0  0  0  0 13
    3.3329    2.3958   -1.6713 C   0  0  0  0  0  0  0  0  0 14
    1.8794   -2.5306   -0.5313 C   0  0  0  0  0  0  0  0  0 15
    4.4412   -1.7694   -1.6129 H   0  0  0  0  0  0  0  0  0 16
    6.5963   -0.5479   -1.3465 H   0  0  0  0  0  0  0  0  0 17
    5.4124    0.7325    1.3002 H   0  0  0  0  0  0  0  0  0 18
    7.0408    1.0628    0.6610 H   0  0  0  0  0  0  0  0  0 19
    3.5242    0.7409    1.4501 H   0  0  0  0  0  0  0  0  0 20
    3.7488    2.9554    0.3779 H   0  0  0  0  0  0  0  0  0 21
    6.4058   -2.0791    2.2603 H   0  0  0  0  0  0  0  0  0 22
    4.6354   -1.9108    2.1943 H   0  0  0  0  0  0  0  0  0 23
    5.6732   -0.4767    2.0106 H   0  0  0  0  0  0  0  0  0 24
    7.0556   -3.3670    0.4617 H   0  0  0  0  0  0  0  0  0 25
    6.8969   -2.7270   -1.1913 H   0  0  0  0  0  0  0  0  0 26
    5.6299   -3.7812   -0.5196 H   0  0  0  0  0  0  0  0  0 27
    5.9583    2.8244   -0.3149 H   0  0  0  0  0  0  0  0  0 28
    5.6050    1.5829   -1.5410 H   0  0  0  0  0  0  0  0  0 29
    1.3433    1.8079    1.1738 H   0  0  0  0  0  0  0  0  0 30
    1.3305    1.5092   -0.5812 H   0  0  0  0  0  0  0  0  0 31
    0.0752   -0.4010    0.1772 H   0  0  0  0  0  0  0  0  0 32
    1.0033   -0.5249    1.6914 H   0  0  0  0  0  0  0  0  0 33
    3.8695    3.2338   -2.1162 H   0  0  0  0  0  0  0  0  0 34
    2.2780    2.6519   -1.5726 H   0  0  0  0  0  0  0  0  0 35
    3.4352    1.5190   -2.3107 H   0  0  0  0  0  0  0  0  0 36
    0.8435   -2.8104   -0.3396 H   0  0  0  0  0  0  0  0  0 37
    2.5432   -3.1991    0.0170 H   0  0  0  0  0  0  0  0  0 38
    2.0850   -2.6102   -1.5988 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  8  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4 11  2  0  0  0
  5 10  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  6 20  1  0  0  0
  7 10  1  0  0  0
  7 14  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 13  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 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>
15560276

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
321

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAAAAAAAAGAAAAQAAAAAAAAAABgAYAACAAAAAGAAAAAAADwCAAAACAAAAAACAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

> <PUBCHEM_IUPAC_CAS_NAME>
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

> <PUBCHEM_IUPAC_NAME>
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aR,4R,4aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocycloprop[e]azulene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SPCXZDDGSGTVAW-XIDUGBJDSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(C2(C)C)C3=C(CCC13)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C(CC[C@H]13)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
1  16  6
3  17  6
6  20  5
7  14  6

$$$$
