1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate

2.1.2 InChI

InChI=1S/C27H38O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h13,15,17-18,21-24H,3-12,14,16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1

2.1.3 InChI Key

QPMSXPMLTYTHGM-ZLQWOROUSA-N

2.1.4 Canonical SMILES

CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)C=CC35C

2.1.5 Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)C=C[C@]35C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 106505-90-2

2. Boldenone Cyclopentanepropionate

3. [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate

4. Dtxsid80747209

5. Zinc65734938

6. As-82242

7. Hy-118603

8. Cs-0067602

9. Boldenone Cypionate 100 Microg/ml In Acetonitrile

10. 17beta-hydroxy-androsta-1,4-dien-3-one Cyclopentanepropionate

11. (17beta)-3-oxoandrosta-1,4-dien-17-yl 3-cyclopentylpropanoate

2.3 Create Date

2013-05-17

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₈O₃
Molecular Weight	410.6 g/mol
XLogP3	6.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	410.28209507 g/mol
Monoisotopic Mass	410.28209507 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	773
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Boldenone Cypionate

Boldenone Cypionate

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