134715456
 OpenBabel05082101102D

 75 77  0  0  1  0  0  0  0  0999 V2000
    2.0000   -4.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.5981    1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.4087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7320    0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_COMPOUND_CID>
134715456

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
639

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGAAAAAAGgAACAAADxSggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIEAIAAQAAQAAEwAAIgAOAwMAPgAAAAAAAAABAAAAAACAAAQAACAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,3Z,4S)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexanol

>  <PUBCHEM_IUPAC_CAS_NAME>
(1S,3Z,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-1-cyclohexanol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,3<I>Z</I>,4<I>S</I>)-3-[(2<I>E</I>)-2-[(1<I>R</I>,3<I>a</I><I>S</I>,7<I>a</I><I>R</I>)-1-[(<I>E</I>,2<I>R</I>)-5,6-dimethylhept-3-en-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-methylcyclohexan-1-ol

>  <PUBCHEM_IUPAC_NAME>
(1S,3Z,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,3Z,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexan-1-ol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,3Z,4S)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,1R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methyl-cyclohexanol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13-/t20?,21-,22+,25-,26+,27-,28+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
ILYCWAKSDCYMBB-PHWRSAMZSA-N

>  <PUBCHEM_XLOGP3_AA>
7.7

>  <PUBCHEM_EXACT_MASS>
398.354866

>  <PUBCHEM_MOLECULAR_FORMULA>
C28H46O

>  <PUBCHEM_MOLECULAR_WEIGHT>
398.7

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CC1=CC=C2CCCC3(C2CCC3C(C)C=CC(C)C(C)C)C)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]\1CC[C@@H](C/C1=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/C(C)C(C)C)C)O

>  <PUBCHEM_CACTVS_TPSA>
20.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
398.354866

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
29

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

>  <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>
24  1  6
19  26  3
2  10  5
20  27  5
3  30  6
4  31  6
8  13  6

$$$$
