11Beta-Methyl-19-Nortestosterone

Synopsis, Chemistry

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Also known as: 7hk4m3941f, 18046-77-0, 11betamnt, 11.beta.mnt, 11beta-methyl nortestosterone, Unii-7hk4m3941f

Molecular Formula

C₁₉H₂₈O₂

Molecular Weight

288.4 g/mol

InChI Key

QCNNHARIRLYUAB-CTPXPINYSA-N

FDA UNII

7HK4M3941F

1 2D Structure

11Beta-Methyl-19-Nortestosterone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8R,9S,10R,11S,13S,14S,17S)-17-hydroxy-11,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

2.1.2 InChI

InChI=1S/C19H28O2/c1-11-10-19(2)16(7-8-17(19)21)15-5-3-12-9-13(20)4-6-14(12)18(11)15/h9,11,14-18,21H,3-8,10H2,1-2H3/t11-,14-,15-,16-,17-,18+,19-/m0/s1

2.1.3 InChI Key

QCNNHARIRLYUAB-CTPXPINYSA-N

2.1.4 Canonical SMILES

CC1CC2(C(CCC2O)C3C1C4CCC(=O)C=C4CC3)C

2.1.5 Isomeric SMILES

C[C@H]1C[C@]2([C@@H](CC[C@@H]2O)[C@H]3[C@H]1[C@H]4CCC(=O)C=C4CC3)C

2.2 Other Identifiers

2.2.1 UNII

7HK4M3941F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7hk4m3941f

2. 18046-77-0

3. 11betamnt

4. 11.beta.mnt

5. 11beta-methyl Nortestosterone

6. Unii-7hk4m3941f

7. Schembl3452660

8. Dtxsid001252268

9. 11.beta.-methyl Nortestosterone

10. 11.beta.-methyl-19-nortestosterone

11. Estr-4-en-3-one, 17beta-hydroxy-11beta-methyl-

12. Q27268303

13. (11beta,17beta)-17-hydroxy-11-methylestr-4-en-3-one

14. Estr-4-en-3-one, 17.beta.-hydroxy-11.beta.-methyl-

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₈O₂
Molecular Weight	288.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	288.208930132 g/mol
Monoisotopic Mass	288.208930132 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1