5281010
  -OEChem-04262402162D

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 17 19  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
5281010

> <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>
(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-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>
(3Z)-3-[(2E)-2-[1-[(E)-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>
(3<I>Z</I>)-3-[(2<I>E</I>)-2-[1-[(<I>E</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>
(3Z)-3-[(2E)-2-[1-[(E)-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>
(3Z)-3-[(2E)-2-[1-[(E)-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>
(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-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-

> <PUBCHEM_IUPAC_INCHIKEY>
ILYCWAKSDCYMBB-AAGLSAJLSA-N

> <PUBCHEM_XLOGP3_AA>
7.7

> <PUBCHEM_EXACT_MASS>
398.354866087

> <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>
CC\1CCC(C/C1=C/C=C/2\CCCC3(C2CCC3C(C)/C=C/C(C)C(C)C)C)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
398.354866087

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <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>
19  53  3
2  10  3
20  54  3
24  60  3
3  30  3
4  31  3
8  38  3

$$$$