10085645
  DSViewer          3D                             0

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M  END
> <PUBCHEM_COMPOUND_CID>
10085645

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAADQAAAAGgAAAAAAD0SAgAACAAAABACAACBCAAAAAAAgAAAIAAAAAAgABAIAIAACAAAEgAAAIAGAwPAPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,4aR,10aS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

> <PUBCHEM_IUPAC_CAS_NAME>
(3R,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran

> <PUBCHEM_IUPAC_NAME>
(3R,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,4aR,10aS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15?,16?,18-,19-,20+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IGGWKHQYMAJOHK-NKBYQBPKSA-N

> <PUBCHEM_XLOGP3_AA>
5.9

> <PUBCHEM_EXACT_MASS>
290.261

> <PUBCHEM_MOLECULAR_FORMULA>
C20H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.483

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1CCC3(C2CCC(O3)(C)C=C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]1(CCC2[C@]3(CCCC(C3CC[C@]2(O1)C)(C)C)C)C=C

> <PUBCHEM_CACTVS_TPSA>
9.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.261

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
15  19  5
2  13  5
3  7  3
4  10  3
5  16  5

$$$$
