Mrv0541 05061308402D          

 31 35  0  0  0  0            999 V2000
   -1.8573    0.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9174   -0.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1428   -0.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460    0.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    0.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2253    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    2.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3202    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    2.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    2.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7506    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8237    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0720    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3490    0.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5972    1.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5467    1.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM028935

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(C)C(O)CCC4(C)C3=CCC21C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3

> <INCHI_KEY>
VWYANPOOORUCFJ-UHFFFAOYSA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.7174

> <EXACT_MASS>
426.386166222

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
54.20254218025434

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-12-en-17-ol

> <ALOGPS_LOGP>
7.15

> <JCHEM_LOGP>
7.3901128106666665

> <ALOGPS_LOGS>
-7.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.553793233935345

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8069708394766798

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
131.98079999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.14e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-isopropyl-2,5,10,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-12-en-17-ol

> <JCHEM_VEBER_RULE>
1

> <NAME>
alpha-Fernenol

> <CAS>
4966-00-1

> <SYNONYMS>
Isoarborinol; Sorghumol

$$$$