12302222
  DSViewer          3D                             0

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.1738   -1.8833   -1.1942 O   0  0  0  0  0  0  0  0  0  1
    4.0487   -1.4423    0.1954 C   0  0  1  0  0  0  0  0  0  2
    3.9077    0.0662   -0.3078 C   0  0  1  0  0  0  0  0  0  3
    2.4957    0.7423    0.1434 C   0  0  1  0  0  0  0  0  0  4
    2.7245   -2.0544    0.1203 C   0  0  1  0  0  0  0  0  0  5
    2.2171    0.3421    1.5033 C   0  0  0  0  0  0  0  0  0  6
    1.9688   -1.2636    1.3567 C   0  0  0  0  0  0  0  0  0  7
    5.1607   -2.0555   -0.6410 C   0  0  0  0  0  0  0  0  0  8
    2.3638    2.2946   -0.1355 C   0  0  0  0  0  0  0  0  0  9
    5.2033    0.7172    0.1114 C   0  0  0  0  0  0  0  0  0 10
    6.4980   -1.4015   -0.2257 C   0  0  0  0  0  0  0  0  0 11
    2.7418   -3.5518    0.4767 C   0  0  0  0  0  0  0  0  0 12
    6.3729    0.0721    0.1236 C   0  0  0  0  0  0  0  0  0 13
    0.9304    2.7242    0.2294 C   0  0  0  0  0  0  0  0  0 14
    3.3235    3.1854    0.6946 C   0  0  0  0  0  0  0  0  0 15
    7.6023    0.8209    0.5453 C   0  0  0  0  0  0  0  0  0 16
    4.2999   -1.5283    1.2642 H   0  0  0  0  0  0  0  0  0 17
    3.8452    0.1265   -1.4024 H   0  0  0  0  0  0  0  0  0 18
    1.6950    0.2651   -0.4371 H   0  0  0  0  0  0  0  0  0 19
    3.0643    0.5512    2.1565 H   0  0  0  0  0  0  0  0  0 20
    1.3290    0.8441    1.8871 H   0  0  0  0  0  0  0  0  0 21
    0.8968   -1.4157    1.2315 H   0  0  0  0  0  0  0  0  0 22
    2.2961   -1.7284    2.2867 H   0  0  0  0  0  0  0  0  0 23
    5.2053   -3.1300   -0.4635 H   0  0  0  0  0  0  0  0  0 24
    4.9721   -1.8689   -1.6982 H   0  0  0  0  0  0  0  0  0 25
    2.5293    2.4802   -1.2060 H   0  0  0  0  0  0  0  0  0 26
    5.1836    1.7629    0.4187 H   0  0  0  0  0  0  0  0  0 27
    6.8839   -1.9304    0.6458 H   0  0  0  0  0  0  0  0  0 28
    7.2013   -1.5009   -1.0525 H   0  0  0  0  0  0  0  0  0 29
    3.1597   -3.6835    1.4747 H   0  0  0  0  0  0  0  0  0 30
    3.3535   -4.0909   -0.2468 H   0  0  0  0  0  0  0  0  0 31
    1.7246   -3.9429    0.4548 H   0  0  0  0  0  0  0  0  0 32
    1.2554   -2.2463   -1.2145 H   0  0  0  0  0  0  0  0  0 33
    3.1621    4.2322    0.4373 H   0  0  0  0  0  0  0  0  0 34
    4.3554    2.9125    0.4740 H   0  0  0  0  0  0  0  0  0 35
    3.1285    3.0388    1.7570 H   0  0  0  0  0  0  0  0  0 36
    0.8128    3.7921    0.0460 H   0  0  0  0  0  0  0  0  0 37
    0.7447    2.5144    1.2828 H   0  0  0  0  0  0  0  0  0 38
    0.2179    2.1705   -0.3821 H   0  0  0  0  0  0  0  0  0 39
    8.4657    0.1572    0.5006 H   0  0  0  0  0  0  0  0  0 40
    7.4756    1.1832    1.5655 H   0  0  0  0  0  0  0  0  0 41
    7.7601    1.6671   -0.1234 H   0  0  0  0  0  0  0  0  0 42
  5  1  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  3 18  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
  4 19  1  0  0  0
  5  7  1  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8 11  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
  9 26  1  0  0  0
 10 13  2  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 16  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12302222

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACAAAAAGgAACAAADUSAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAOgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4S,4aS,8aS)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
(1R,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4S,4aS,8aS)-4-isopropyl-1,6-dimethyl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LHYHMMRYTDARSZ-LJISPDSOSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
222.198

> <PUBCHEM_MOLECULAR_FORMULA>
C15H26O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.366

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C[C@@H]2[C@@H](CC[C@@]([C@H]2CC1)(C)O)C(C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.198

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
5  1  6
2  17  5
3  18  6
4  9  5

$$$$
