91746572
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
91746572

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
433

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADAAAAAGAAAAAAADwCAAAACAAAAAACAAiBCAAAAAAAgAAAIAAAAAAgAAAIAAQAAAAAAgAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,4aR)-2,4a,8a-trimethyl-8-methylene-2-vinyl-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,4aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

> <PUBCHEM_IUPAC_NAME>
(2S,4aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,4aR)-2-ethenyl-2,4a,8a-trimethyl-8-methylidene-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,4aR)-2,4a,8a-trimethyl-8-methylene-2-vinyl-1,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16?,17?,18-,19?,20+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GHYZJFFJSPZRIU-AXGZHYKBSA-N

> <PUBCHEM_XLOGP3_AA>
7.3

> <PUBCHEM_EXACT_MASS>
272.25

> <PUBCHEM_MOLECULAR_FORMULA>
C20H32

> <PUBCHEM_MOLECULAR_WEIGHT>
272.468

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC2(C(C1)CCC3(C2CCCC3=C)C)C)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1(CC[C@@]2(C(C1)CCC3(C2CCCC3=C)C)C)C=C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.25

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
1  12  6
2  10  3
3  8  3
4  15  3
9  17  6

$$$$
