Mrv0541 02241221102D          

 33 36  0  0  0  0            999 V2000
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   -0.0073    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7071   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -0.7661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4216    0.0589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1361    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361   -1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505   -0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505    1.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361    1.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496    1.5514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5650    1.2965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5650    0.4714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3496    0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218   -1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7071   -2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -1.5911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650   -0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    2.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3496    2.3764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0641    2.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4930    2.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9220    2.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075    1.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    2.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.7649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
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  6  5  1  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
> <DATABASE_ID>
FDB004483

> <DATABASE_NAME>
foodb

> <SMILES>
[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1

> <INCHI_KEY>
CAHGCLMLTWQZNJ-WZLOIPHISA-N

> <FORMULA>
C30H50O

> <MOLECULAR_WEIGHT>
426.7174

> <EXACT_MASS>
426.386166222

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
54.56681946585081

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,5S,7R,11S,14S,15S)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-5-ol

> <ALOGPS_LOGP>
7.72

> <JCHEM_LOGP>
7.706672521

> <ALOGPS_LOGS>
-6.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.553786825962863

> <JCHEM_PKA_STRONGEST_BASIC>
-0.806973642323843

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
134.5447

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.76e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
euphol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB004483

> <GENERIC_NAME>
Euphol

$$$$