91753726
  DSViewer          3D                             0

 40 41  0  0  0  0  0  0  0  0999 V2000
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    4.2864    1.0815   -0.4818 C   0  0  1  0  0  0  0  0  0  2
    5.7300   -0.7791    0.1973 C   0  0  2  0  0  0  0  0  0  3
    5.6978    1.5403   -0.0077 C   0  0  0  0  0  0  0  0  0  4
    4.3086   -0.3536   -0.0542 C   0  0  0  0  0  0  0  0  0  5
    6.5292    0.3452   -0.4934 C   0  0  0  0  0  0  0  0  0  6
    3.1645    2.0046   -0.0036 C   0  0  2  0  0  0  0  0  0  7
    6.1147   -2.2262   -0.2302 C   0  0  0  0  0  0  0  0  0  8
    4.2750    1.0975   -2.0332 C   0  0  0  0  0  0  0  0  0  9
    1.7850    1.6027   -0.5404 C   0  0  0  0  0  0  0  0  0 10
    3.2927   -1.1984    0.1345 C   0  0  0  0  0  0  0  0  0 11
    1.1304    0.3425    0.0563 C   0  0  0  0  0  0  0  0  0 12
    1.8405   -0.9887    0.0324 C   0  0  0  0  0  0  0  0  0 13
    7.5909   -2.4781    0.1268 C   0  0  0  0  0  0  0  0  0 14
    5.9318   -2.4260   -1.7544 C   0  0  0  0  0  0  0  0  0 15
    1.0772   -2.0724    0.1463 C   0  0  0  0  0  0  0  0  0 16
    5.8842   -0.6984    1.2817 H   0  0  0  0  0  0  0  0  0 17
    6.0049    2.4703   -0.4861 H   0  0  0  0  0  0  0  0  0 18
    5.7454    1.6552    1.0752 H   0  0  0  0  0  0  0  0  0 19
    7.5603    0.3919   -0.1430 H   0  0  0  0  0  0  0  0  0 20
    6.5179    0.2506   -1.5793 H   0  0  0  0  0  0  0  0  0 21
    3.1400    2.0608    1.0934 H   0  0  0  0  0  0  0  0  0 22
    5.4848   -2.9470    0.3109 H   0  0  0  0  0  0  0  0  0 23
    3.2964    0.7798   -2.3931 H   0  0  0  0  0  0  0  0  0 24
    5.0386    0.4168   -2.4098 H   0  0  0  0  0  0  0  0  0 25
    4.4818    2.1071   -2.3882 H   0  0  0  0  0  0  0  0  0 26
    1.1085    2.4383   -0.3608 H   0  0  0  0  0  0  0  0  0 27
    1.8865    1.4410   -1.6136 H   0  0  0  0  0  0  0  0  0 28
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    0.1895    0.2011   -0.4754 H   0  0  0  0  0  0  0  0  0 31
    6.2080   -3.4454   -2.0235 H   0  0  0  0  0  0  0  0  0 32
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    7.7300   -2.3634    1.2018 H   0  0  0  0  0  0  0  0  0 36
    8.2201   -1.7601   -0.3993 H   0  0  0  0  0  0  0  0  0 37
    2.7658    3.9363   -0.2467 H   0  0  0  0  0  0  0  0  0 38
    1.5362   -3.0480    0.3063 H   0  0  0  0  0  0  0  0  0 39
   -0.0073   -1.9846    0.0797 H   0  0  0  0  0  0  0  0  0 40
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  1 38  1  0  0  0
  2  4  1  0  0  0
  2  5  1  0  0  0
  2  7  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3  6  1  0  0  0
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  4  6  1  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
91753726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAABAAAAACAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgIEAIAAQAAQAAEwAAIgAOAwPAPgAAAAAAAAAAAAAAAAAAAAQAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,3aS,4S)-1-isopropyl-3a-methyl-7-methylene-1,2,3,4,5,6-hexahydroazulen-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,3aS,4S)-3a-methyl-7-methylene-1-propan-2-yl-1,2,3,4,5,6-hexahydroazulen-4-ol

> <PUBCHEM_IUPAC_NAME>
(1R,3aS,4S)-3a-methyl-7-methylidene-1-propan-2-yl-1,2,3,4,5,6-hexahydroazulen-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,3aS,4S)-3a-methyl-7-methylidene-1-propan-2-yl-1,2,3,4,5,6-hexahydroazulen-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,3aS,4S)-1-isopropyl-3a-methyl-7-methylene-1,2,3,4,5,6-hexahydroazulen-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h9-10,12,14,16H,3,5-8H2,1-2,4H3/t12-,14+,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JKYVXHLCMIJYEY-SNPRPXQTSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
220.183

> <PUBCHEM_MOLECULAR_FORMULA>
C15H24O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CCC2(C1=CC(=C)CCC2O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[C@H]1CC[C@]2(C1=CC(=C)CC[C@@H]2O)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.183

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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  6
2  9  6
3  8  6

$$$$
