Mrv0541 02241221522D          

 20 23  0  0  1  0            999 V2000
   -0.6914    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1326    0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    1.0544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8498    1.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894    1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    1.1080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6725    0.4357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8495    0.2936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9873   -0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957   -0.4579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2105   -0.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -0.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8371   -0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9715    1.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777    1.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877   -0.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  6  0  0  0
  9 13  1  6  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 20  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM023755

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=C[C@@H]2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@]22CC[C@@H]1C2

> <INCHI_IDENTIFIER>
InChI=1S/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17+,19+,20-/m1/s1

> <INCHI_KEY>
MCRAOCBPZAIHJQ-QBYKVAOYSA-N

> <FORMULA>
C20H32

> <MOLECULAR_WEIGHT>
272.4681

> <EXACT_MASS>
272.250401024

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
34.47191916731895

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadec-11-ene

> <ALOGPS_LOGP>
6.02

> <JCHEM_LOGP>
5.558204495

> <ALOGPS_LOGS>
-6.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
86.7189

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.46e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stemar-13-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Stemar-13-ene

> <CAS>
138883-56-4

$$$$