Mrv1652310101704482D          

 31 35  0  0  0  0            999 V2000
   10.4246   -1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5061   -2.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0176    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991    0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2631    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3493   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6493   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5868   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6493   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8243   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1118   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1743   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3493   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 11  1  0  0  0  0
 23 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25  1  1  0  0  0  0
 25  2  1  0  0  0  0
 25 15  1  0  0  0  0
 25 19  1  0  0  0  0
 26  3  1  0  0  0  0
 26  4  1  0  0  0  0
 26 22  1  0  0  0  0
 26 24  1  0  0  0  0
 27  5  1  0  0  0  0
 27 16  1  0  0  0  0
 27 17  1  0  0  0  0
 27 21  1  0  0  0  0
 28  6  1  0  0  0  0
 28 13  1  0  0  0  0
 28 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29  7  1  0  0  0  0
 29 18  1  0  0  0  0
 29 20  1  0  0  0  0
 30  8  1  0  0  0  0
 30 14  1  0  0  0  0
 30 23  1  0  0  0  0
 30 29  1  0  0  0  0
 31 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM028540

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3

> <INCHI_KEY>
QMUXVPRGNJLGRT-UHFFFAOYSA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.7174

> <EXACT_MASS>
426.386166222

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
54.22078753083731

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-ol

> <ALOGPS_LOGP>
7.26

> <JCHEM_LOGP>
7.403140834333334

> <ALOGPS_LOGS>
-6.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.489433390176508

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8351218351367943

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
131.90729999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.82e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12b,13,14,14a-tetradecahydropicen-3-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Germanicol

> <CAS>
465-02-1

$$$$