CDK     1018121543

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2723  -10.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626  -10.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501  -10.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -8.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682   -8.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   -8.7713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5781   -9.5993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2885  -10.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0069   -9.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950   -8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0063   -8.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7216   -8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7308   -7.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236   -7.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989   -7.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4327   -8.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4211   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1512   -8.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4535   -7.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5722   -7.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701  -10.4210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  2  1  0  0  0  0 
  2  8  1  0  0  0  0 
  7  6  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
  7 21  1  1  0  0  0 
  8 22  1  6  0  0  0 
M  END
> <ID>
CHEBI:69241

> <NAME>
totarol

> <DEFINITION>
A natural product found in Biota orientalis. 

> <STAR>
2

> <SYNONYM>
14-Isopropylpodocarpa-8,11,13-trien-13-ol

> <FORMULA>
C20H30O

> <MASS>
286.45160

> <MONOISOTOPIC_MASS>
286.22967

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCc3c(C(C)C)c(O)ccc3[C@@]1(C)CCCC2(C)C

> <INCHI>
InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1

> <INCHIKEY>
ZRVDANDJSTYELM-FXAWDEMLSA-N

> <CAS_REGISTRY_NUMBER>
511-15-9

> <CHEMIDPLUS>
511-15-9

> <PUBMED_CITATION>
21793559

$$$$