10891602
  DSViewer          3D                             0

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    5.3986    2.3647   -1.3660 H   0  0  0  0  0  0  0  0  0 22
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    4.0602    3.3520    1.2121 H   0  0  0  0  0  0  0  0  0 26
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M  END
> <PUBCHEM_COMPOUND_CID>
10891602

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADAAAAAGgAACAAAD0SAgAACAAAAAgCAAiBCAAAAAAAgAAAIAAAAAAgABAIAAQAAQAAEgAAAEAGAwPAPgAAAAAAAAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-1-penten-3-ol

> <PUBCHEM_IUPAC_NAME>
(3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-1-en-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H34O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17-,19+,20+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CECREIRZLPLYDM-RAUXBKROSA-N

> <PUBCHEM_XLOGP3_AA>
5.7

> <PUBCHEM_EXACT_MASS>
290.261

> <PUBCHEM_MOLECULAR_FORMULA>
C20H34O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.483

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC2(C1CCC(=C)C2CCC(C)(C=C)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[C@@](C)(C=C)O)(C)C

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.261

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
18  1  6
2  10  5
3  22  6
5  13  5

$$$$
