Mrv0541 05061306132D          

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M  END
> <DATABASE_ID>
CHEM026729

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCC\C=C\CC\C=C\CCCCCCCCCCCCCCC1=CC(C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H66O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-36-34-35(2)39-37(36)38/h14-15,18-19,34-35H,3-13,16-17,20-33H2,1-2H3/b15-14+,19-18+

> <INCHI_KEY>
JMBHJZMDMSBICG-HOTZHUKSSA-N

> <FORMULA>
C37H66O2

> <MOLECULAR_WEIGHT>
542.9187

> <EXACT_MASS>
542.506281356

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
75.33819795482415

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(15E,19E)-dotriaconta-15,19-dien-1-yl]-5-methyl-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
11.02

> <JCHEM_LOGP>
14.406526404333333

> <ALOGPS_LOGS>
-7.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.115322232239539

> <JCHEM_PKA_STRONGEST_BASIC>
-6.879887748924184

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
174.88750000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
29

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.90e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(15E,19E)-dotriaconta-15,19-dien-1-yl]-5-methyl-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

> <NAME>
Muridienin 4

> <CAS>
206131-79-5

$$$$