92231
  DSViewer          3D                             0

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.5090   -2.4707    0.7845 O   0  0  0  0  0  0  0  0  0  1
    5.0488   -1.0979   -0.4841 C   0  0  2  0  0  0  0  0  0  2
    6.0136   -2.0461    0.2490 C   0  0  0  0  0  0  0  0  0  3
    6.4076   -0.5706   -0.2303 C   0  0  2  0  0  0  0  0  0  4
    3.8617   -0.4319    0.2427 C   0  0  1  0  0  0  0  0  0  5
    3.4996    0.8976   -0.3895 C   0  0  1  0  0  0  0  0  0  6
    2.5128   -1.2004    0.1364 C   0  0  2  0  0  0  0  0  0  7
    6.4559    0.5773    0.7916 C   0  0  0  0  0  0  0  0  0  8
    5.9427   -2.1923    1.7873 C   0  0  0  0  0  0  0  0  0  9
    6.6707   -3.1561   -0.5869 C   0  0  0  0  0  0  0  0  0 10
    2.2229    1.2584    0.4263 C   0  0  0  0  0  0  0  0  0 11
    1.5979   -0.1585    0.8284 C   0  0  0  0  0  0  0  0  0 12
    6.0061    1.9230    0.1444 C   0  0  0  0  0  0  0  0  0 13
    4.5426    2.0317   -0.3874 C   0  0  0  0  0  0  0  0  0 14
    2.0557   -1.4374   -1.3372 C   0  0  0  0  0  0  0  0  0 15
    4.1704    3.1986   -0.9057 C   0  0  0  0  0  0  0  0  0 16
    4.9030   -1.3141   -1.5500 H   0  0  0  0  0  0  0  0  0 17
    7.0278   -0.5019   -1.1345 H   0  0  0  0  0  0  0  0  0 18
    4.0798   -0.2671    1.3021 H   0  0  0  0  0  0  0  0  0 19
    3.2024    0.7610   -1.4236 H   0  0  0  0  0  0  0  0  0 20
    5.7910    0.3422    1.6228 H   0  0  0  0  0  0  0  0  0 21
    7.4761    0.6830    1.1604 H   0  0  0  0  0  0  0  0  0 22
    6.6990   -2.9029    2.1205 H   0  0  0  0  0  0  0  0  0 23
    4.9547   -2.5533    2.0733 H   0  0  0  0  0  0  0  0  0 24
    6.1242   -1.2239    2.2536 H   0  0  0  0  0  0  0  0  0 25
    7.3255   -3.7514    0.0494 H   0  0  0  0  0  0  0  0  0 26
    7.2549   -2.7085   -1.3909 H   0  0  0  0  0  0  0  0  0 27
    5.8982   -3.7965   -1.0126 H   0  0  0  0  0  0  0  0  0 28
    2.4826    1.8322    1.3159 H   0  0  0  0  0  0  0  0  0 29
    1.5235    1.8297   -0.1840 H   0  0  0  0  0  0  0  0  0 30
    0.5739   -0.2442    0.4648 H   0  0  0  0  0  0  0  0  0 31
    1.6123   -0.2922    1.9101 H   0  0  0  0  0  0  0  0  0 32
    6.1359    2.7022    0.8955 H   0  0  0  0  0  0  0  0  0 33
    6.6711    2.1149   -0.6976 H   0  0  0  0  0  0  0  0  0 34
    2.0442   -0.4877   -1.8718 H   0  0  0  0  0  0  0  0  0 35
    1.0547   -1.8690   -1.3428 H   0  0  0  0  0  0  0  0  0 36
    2.7485   -2.1214   -1.8276 H   0  0  0  0  0  0  0  0  0 37
    1.6012   -2.8598    0.7366 H   0  0  0  0  0  0  0  0  0 38
    3.1647    3.3203   -1.3081 H   0  0  0  0  0  0  0  0  0 39
    4.8711    4.0333   -0.9283 H   0  0  0  0  0  0  0  0  0 40
  7  1  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  8  1  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 19  1  0  0  0
  6 11  1  0  0  0
  6 14  1  0  0  0
  6 20  1  0  0  0
  7 12  1  0  0  0
  7 15  1  0  0  0
  8 13  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 11 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  2  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92231

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAGAAAAYAAAAAAAAAABgAYAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAgBCAAAAAAAgAAAAAAAAAAgAAAIAAQAAQAAEgAAAAAGAwPAPgAAAAAAAAAAAAAAAAAAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

> <PUBCHEM_IUPAC_NAME>
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocycloprop[h]azulen-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FRMCCTDTYSRUBE-BGPZULBFSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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>
7  1  5
2  17  6
4  18  6
5  19  5
6  20  6

$$$$
