Mrv0541 05061307232D          

 31 34  0  0  0  0            999 V2000
    6.2078   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453   -3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2078   -2.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9203   -2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2224   -6.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4859   -2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9231   -3.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0328   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828   -2.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2703   -2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8685   -5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6531   -5.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5848   -4.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1979   -4.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1385   -3.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4924   -4.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3539   -3.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7078   -3.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0328   -2.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5078   -2.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0508   -5.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4453   -2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6970   -4.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9203   -3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2662   -5.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123   -4.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3101   -4.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6639   -4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7408   -3.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0947   -4.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4485   -5.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 17 15  1  0  0  0  0
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 23 11  2  0  0  0  0
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 28 16  1  0  0  0  0
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 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 24  1  0  0  0  0
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 30  7  1  0  0  0  0
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 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM027975

> <DATABASE_NAME>
chemdb

> <SMILES>
CCC(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3

> <INCHI_KEY>
IYIFZADLIMVECH-UHFFFAOYSA-N

> <FORMULA>
C30H52O

> <MOLECULAR_WEIGHT>
428.7333

> <EXACT_MASS>
428.401816286

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
55.053277674784525

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-(5-ethyl-6-methylheptan-2-yl)-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

> <ALOGPS_LOGP>
7.58

> <JCHEM_LOGP>
8.209449618333334

> <ALOGPS_LOGS>
-7.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.957638198850066

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0677290518229814

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
134.23769999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.06e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
14-(5-ethyl-6-methylheptan-2-yl)-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
24-Ethyllophenol

> <CAS>
36735-29-2

$$$$