71300377
  DSViewer          3D                             0

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.7228   -1.2145   -0.5037 C   0  0  2  0  0  0  0  0  0  1
    5.7895   -2.1382    0.1031 C   0  0  0  0  0  0  0  0  0  2
    6.0890   -0.6761   -0.4633 C   0  0  2  0  0  0  0  0  0  3
    3.6052   -0.5985    0.3977 C   0  0  2  0  0  0  0  0  0  4
    6.1812    0.5568    0.4131 C   0  0  0  0  0  0  0  0  0  5
    2.2890   -1.4117    0.3475 C   0  0  3  0  0  0  0  0  0  6
    3.1446    0.7292   -0.0127 C   0  0  0  0  0  0  0  0  0  7
    5.9730   -2.2359    1.6348 C   0  0  0  0  0  0  0  0  0  8
    6.3516   -3.2507   -0.7972 C   0  0  0  0  0  0  0  0  0  9
    5.4919    1.7544   -0.3270 C   0  0  0  0  0  0  0  0  0 10
    1.3522   -0.4371    1.0313 C   0  0  0  0  0  0  0  0  0 11
    1.6344    0.8406    0.1207 C   0  0  0  0  0  0  0  0  0 12
    3.9322    1.7675   -0.3536 C   0  0  0  0  0  0  0  0  0 13
    1.7801   -1.5783   -1.1125 C   0  0  0  0  0  0  0  0  0 14
    3.2658    3.0641   -0.7160 C   0  0  0  0  0  0  0  0  0 15
    4.4537   -1.4030   -1.5497 H   0  0  0  0  0  0  0  0  0 16
    6.5470   -0.6286   -1.4603 H   0  0  0  0  0  0  0  0  0 17
    3.9401   -0.4834    1.4343 H   0  0  0  0  0  0  0  0  0 18
    5.6752    0.3716    1.3606 H   0  0  0  0  0  0  0  0  0 19
    7.2281    0.7957    0.6004 H   0  0  0  0  0  0  0  0  0 20
    2.3777   -2.4022    0.8148 H   0  0  0  0  0  0  0  0  0 21
    7.0938   -3.8262   -0.2440 H   0  0  0  0  0  0  0  0  0 22
    6.8186   -2.8063   -1.6761 H   0  0  0  0  0  0  0  0  0 23
    5.5416   -3.9093   -1.1105 H   0  0  0  0  0  0  0  0  0 24
    6.7741   -2.9395    1.8611 H   0  0  0  0  0  0  0  0  0 25
    5.0459   -2.5828    2.0910 H   0  0  0  0  0  0  0  0  0 26
    6.2288   -1.2543    2.0339 H   0  0  0  0  0  0  0  0  0 27
    5.8201    2.6735    0.1585 H   0  0  0  0  0  0  0  0  0 28
    5.8382    1.7451   -1.3605 H   0  0  0  0  0  0  0  0  0 29
    0.3124   -0.7593    0.9755 H   0  0  0  0  0  0  0  0  0 30
    1.6251   -0.2673    2.0728 H   0  0  0  0  0  0  0  0  0 31
    1.3377    1.7653    0.6156 H   0  0  0  0  0  0  0  0  0 32
    1.1352    0.7687   -0.8456 H   0  0  0  0  0  0  0  0  0 33
    0.8544   -2.1538   -1.1118 H   0  0  0  0  0  0  0  0  0 34
    2.5323   -2.1019   -1.7025 H   0  0  0  0  0  0  0  0  0 35
    1.5962   -0.5961   -1.5481 H   0  0  0  0  0  0  0  0  0 36
    4.0245    3.8054   -0.9669 H   0  0  0  0  0  0  0  0  0 37
    2.6772    3.4195    0.1299 H   0  0  0  0  0  0  0  0  0 38
    2.6116    2.9097   -1.5741 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  7  1  0  0  0
  4 18  1  0  0  0
  5 10  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6 11  1  0  0  0
  6 14  1  0  0  0
  6 21  1  0  0  0
  7 12  1  0  0  0
  7 13  2  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 13  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 15  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>
71300377

> <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>
AAADceBwAAAAAAAAAAAAAAAAGAAAAYAAAAAAAAAABAAQAACAAAAAGAAAAAAADwCAAAACAAAAAACAAgBAAAAAAAAgAAAACAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAAAAAAAAAAAAAAAACAAAAA==

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aR,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,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/h10,12-14H,5-8H2,1-4H3/t10?,12-,13-,14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WGTRJVCFDUCKCM-FYFXECOGSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
204.188

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24

> <PUBCHEM_MOLECULAR_WEIGHT>
204.351

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2=C(CCC3C(C12)C3(C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2=C(CC[C@@H]3[C@H]([C@H]12)C3(C)C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.188

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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
4  18  5
6  14  3

$$$$
