92231
  -OEChem-11232513242D

 40 42  0     1  0  0  0  0  0999 V2000
    2.6081   -1.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0230   -0.8508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8495   -1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240   -0.4169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1220   -0.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8995    0.5580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2673   -0.9246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1465    0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8467   -1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2861   -2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5193   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5230    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7788   -1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    2.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979   -1.5869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.5435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1591   -1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644    1.3392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7051    0.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5331    1.0428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8003   -2.1076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649   -1.5356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8930   -0.8710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7739   -1.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9369   -2.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7984   -2.5901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278    1.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165    0.8264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9777    0.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1623   -0.7768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0816    1.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850    1.9443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -2.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958   -2.3167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -1.4668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4384    2.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4709    2.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  6  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  1  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  6  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  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_MARKUP>
(1<I>a</I><I>R</I>,4<I>a</I><I>R</I>,7<I>S</I>,7<I>a</I><I>R</I>,7<I>b</I><I>R</I>)-1,1,7-trimethyl-4-methylidene-1<I>a</I>,2,3,4<I>a</I>,5,6,7<I>a</I>,7<I>b</I>-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>
220.182715385

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

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

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

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.182715385

> <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

$$$$
