11826112
  -OEChem-04262422552D

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    7.1962    3.7968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0901    4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0901    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5800    5.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5801    5.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 79  1  0  0  0  0
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 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11826112

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
683

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAQAAEgAAIAAOAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,8<I>a</I><I>S</I>)-1-[(<I>E</I>)-6-[(1<I>S</I>)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8<I>a</I>-tetramethyl-3,4,4<I>a</I>,6,7,8-hexahydro-1<I>H</I>-naphthalen-2-ol

> <PUBCHEM_IUPAC_NAME>
(1R,2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylidene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,8aS)-1-[(E)-6-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-4-methyl-hex-3-enyl]-2,5,5,8a-tetramethyl-decalin-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24-,25?,26-,29+,30-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BIADSXOKHZFLSN-CQDHYIGWSA-N

> <PUBCHEM_XLOGP3_AA>
9.6

> <PUBCHEM_EXACT_MASS>
428.401816278

> <PUBCHEM_MOLECULAR_FORMULA>
C30H52O

> <PUBCHEM_MOLECULAR_WEIGHT>
428.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC1C2(CCCC(C2CCC1(C)O)(C)C)C)CCC3C(=C)CCCC3(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=C\CC[C@@H]1[C@]2(CCCC(C2CC[C@@]1(C)O)(C)C)C)/CC[C@@H]3C(=C)CCCC3(C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
428.401816278

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
6  1  6
2  12  5
20  23  5
3  8  3
4  13  5

$$$$