Mrv0541 02241210592D          

 27 30  0  0  0  0            999 V2000
    3.2178    1.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    0.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1070    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556    1.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -0.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -1.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542    0.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -1.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3609   -2.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894   -2.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -0.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0744   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7894   -1.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5043   -2.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178   -2.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938    2.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6982    2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023492

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)\C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

> <INCHI_IDENTIFIER>
InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6-

> <INCHI_KEY>
BKWBRNDZAJHCMT-SREVYHEPSA-N

> <FORMULA>
C26H42O

> <MOLECULAR_WEIGHT>
370.6111

> <EXACT_MASS>
370.323565966

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
47.05165266672155

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,15-dimethyl-14-[(3Z)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol

> <ALOGPS_LOGP>
6.27

> <JCHEM_LOGP>
6.306398709

> <ALOGPS_LOGS>
-6.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.20428950550382

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972437702926293

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
117.13209999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.19e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,15-dimethyl-14-[(3Z)-5-methylhex-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol

> <CAS>
38788-81-7

$$$$