134070
  -OEChem-04252409572D

 74 76  0     1  0  0  0  0  0999 V2000
    9.6100    5.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4103    1.2912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.0136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9939    0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    2.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    2.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    3.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    3.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    4.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2498    4.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3488    4.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -4.5136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7320   -5.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500    1.4231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -0.8588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    0.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    0.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -0.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.6275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.9614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143    2.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    1.9864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441    1.9864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.8788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.5962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    1.8283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3133    2.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5146    3.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6391    3.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917    2.5719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9896    4.0181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963    3.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0092    2.9850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6025    3.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.9309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572    3.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8392    4.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4425    4.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5414    5.4552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595    5.0584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1562    4.2765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -5.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -5.4885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    5.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 70  1  0  0  0  0
 27  2  1  1  0  0  0
  2 73  1  0  0  0  0
 28  3  1  6  0  0  0
  3 74  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  1  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  6  0  0  0
  6  8  1  0  0  0  0
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  6 32  1  6  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
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  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 10 39  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 41  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
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 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 20  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 21  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 22  2  3  0  0  0
 20 57  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
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 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 29  1  0  0  0  0
 27 66  1  0  0  0  0
 28 29  1  0  0  0  0
 28 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
134070

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
688

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGAAAAAAGgAACAAAD1SggAICAAAAAgCAAiBCAAAAAAAgAAAACAAAAAgIFAIAAQAAQAAFwAAIkAOA4PQPgAAAAAAAAAAAAAAQACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,3<I>S</I>)-5-[2-[(1<I>R</I>,3<I>a</I><I>S</I>,7<I>a</I><I>R</I>)-1-[(2<I>R</I>)-6-hydroxy-6-methylheptan-2-yl]-7<I>a</I>-methyl-2,3,3<I>a</I>,5,6,7-hexahydro-1<I>H</I>-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

> <PUBCHEM_IUPAC_NAME>
(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,3S)-5-[2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/t18-,22-,23-,24+,25+,27-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GMRQFYUYWCNGIN-ZVUFCXRFSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
416.32904526

> <PUBCHEM_MOLECULAR_FORMULA>
C27H44O3

> <PUBCHEM_MOLECULAR_WEIGHT>
416.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C

> <PUBCHEM_CACTVS_TPSA>
60.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
416.32904526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
2

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  6
11  17  1
27  2  5
20  22  1
28  3  6
4  12  5
5  31  6
6  32  6

$$$$