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2D Structure
Also known as: 23454-33-3, Trenbolone hexahydrobenzyl carbonate, Parabolan, Estra-4,9,11-trien-3-one, Bnj7y3jff2, Cyclohexylmethyl [(8s,13s,14s,17s)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl] carbonate
Molecular Formula
C26H34O4
Molecular Weight
410.5  g/mol
InChI Key
GQJSFWYQKNQCIK-APFRJGHOSA-N
FDA UNII
BNJ7Y3JFF2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclohexylmethyl [(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] carbonate
2.1.2 InChI
InChI=1S/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3/t22-,23+,24+,26+/m1/s1
2.1.3 InChI Key
GQJSFWYQKNQCIK-APFRJGHOSA-N
2.1.4 Canonical SMILES
CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2OC(=O)OCC5CCCCC5
2.1.5 Isomeric SMILES
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC5CCCCC5
2.2 Other Identifiers
2.2.1 UNII
BNJ7Y3JFF2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 23454-33-3

2. Trenbolone Hexahydrobenzyl Carbonate

3. Parabolan

4. Estra-4,9,11-trien-3-one

5. Bnj7y3jff2

6. Cyclohexylmethyl [(8s,13s,14s,17s)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl] Carbonate

7. Trenbolone Cyclohexylmethyl Carbonate

8. Trenbolone Cyclohexylmethylcarbonate (trenbolone Hexahydrobenzylcarbonate)

9. Unii-bnj7y3jff2

10. Trenbolone Hexahydrobenzylcarbonate

11. Einecs 245-669-1

12. Schembl634933

13. Dtxsid20946113

14. Chebi:134706

15. Estra-4,9,11-trien-3-one, 17-(((cyclohexylmethoxy)carbonyl)oxy)-, (17.beta.)-

16. Bcp10799

17. Zinc6067464

18. Cyclohexylmethyl 17-beta-hydroxyestra-4,9,11-trien-3-one Carbonate

19. Akos016010227

20. Ru-2580

21. Ac-31363

22. Trenbolone Cyclohexylmethylcarbonate [mi]

23. A816731

24. Trenbolone Cyclohexylmethylcarbonate [who-dd]

25. Q27274767

26. 17beta-[[(cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one

27. Trenbolone Cyclohexylmethylcarbonate 100 Microg/ml In Acetonitrile

28. Cyclohexylmethyl ((8s,13s,14s,17s)-13-methyl-3-oxo-2,3,6,7,8,13,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl) Carbonate

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 410.5 g/mol
Molecular Formula C26H34O4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass410.24570956 g/mol
Monoisotopic Mass410.24570956 g/mol
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1