Mrv0541 02241221412D          

 18 21  0  0  0  0            999 V2000
   -3.0643    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7788    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0643   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3498    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2064    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4932   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
  7 10  1  0  0  0  0
 12  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
  3 18  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB003714

> <DATABASE_NAME>
foodb

> <SMILES>
OC1CCC2C(CCC3C4CCCC4CCC23)C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2

> <INCHI_KEY>
FPXSXMFOYWRHDX-UHFFFAOYSA-N

> <FORMULA>
C17H28O

> <MOLECULAR_WEIGHT>
248.4036

> <EXACT_MASS>
248.214015518

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
31.23893132452884

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol

> <ALOGPS_LOGP>
4.57

> <JCHEM_LOGP>
3.8344736580000003

> <ALOGPS_LOGS>
-5.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.30946884965182

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3512383251622921

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
74.16550000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.93e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sterol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003714

> <GENERIC_NAME>
Sterols

$$$$