Mrv0541 02231220302D          
 
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   12.9426  -11.6994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
BMDB0005814

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1

> <INCHI_KEY>
VOCBWIIFXDYGNZ-IXKNJLPQSA-N

> <FORMULA>
C26H40O3

> <MOLECULAR_WEIGHT>
400.594

> <EXACT_MASS>
400.297745146

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
49.195539271605384

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
6.2853592150000015

> <ALOGPS_LOGS>
-5.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.086854770611325

> <JCHEM_PKA_STRONGEST_BASIC>
-4.814862904769633

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
116.61219999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
everone

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0005814

> <GENERIC_NAME>
Testosterone enanthate

> <SYNONYMS>
17-((1-Oxoheptyl)oxy)androst-4-en-3-one; 17-Hydroxyandrost-4-en-3-one, 17-heptanoate; 17-Hydroxyandrost-4-en-3-one, 17-heptanoic acid; 17beta-Enanthoxyandrost-4-en-3-one; 17beta-Hydroxyandrost-4-en-3-one enanthate; 4-Androsten-17beta-ol-3-one 17-enanthate; 4-Androsten-3-one 17beta-enanthate; Androgyn L.A.; Andropository; Androtardyl; Atlatest; DEA No. 4000; Delatest; Delatestryl; DePatestrye; Depo-Testro Med; Ditate; Durathate; Everone; Exten test; Malogen L.A.; Malogen L.A.200; Orquisteron-E; Primotestone; Reposo TMD; Testanthate; Testate; Testenate; Testinon; Testoenant; Testonenant; Testosterone 17-enanthate; Testosterone 17beta-heptanoate; Testosterone 17beta-heptanoic acid; Testosterone enantate; Testosterone heptoate; Testosterone heptoic acid; Testosterone heptylate; Testosterone oenanthate; Testostroval

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