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Synopsis

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Also known as: 9,10-dehydro-19-nortestosterone, Zx4vv1akuf, Chembl2311179, Ru-3118, 17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one, (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

Molecular Formula

C₁₈H₂₄O₂

Molecular Weight

272.4 g/mol

InChI Key

PUQSDJZESAQGQS-OWSLCNJRSA-N

FDA UNII

ZX4VV1AKUF

1 2D Structure

9(10)-Dehydronandrolone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

2.1.2 InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1

2.1.3 InChI Key

PUQSDJZESAQGQS-OWSLCNJRSA-N

2.1.4 Canonical SMILES

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O

2.1.5 Isomeric SMILES

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O

2.2 Other Identifiers

2.2.1 UNII

ZX4VV1AKUF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 9,10-dehydro-19-nortestosterone

2. Zx4vv1akuf

3. Chembl2311179

4. Ru-3118

5. 17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

6. (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one

7. (10s,11s,14s)-14-hydroxytetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one

8. Nordienolone

9. Unii-zx4vv1akuf

10. Schembl3867182

11. Dtxsid80471835

12. 3-oxo-4,9-estradien-17beta-ol

13. 4,9-estradien-17beta-ol-3-one

14. Zinc4026402

15. Bdbm50422635

16. Estra-4,9-diene-17beta-ol-3-one

17. 17-

18. A-hydroxyestra-4,9-dien-3-one

19. 17 Beta-hydroxy-4,9-estradien-3-one

20. (17beta)-17-hydroxyestra-4,9-dien-3-one

21. 17beta-hydroxy-estra-4,9(10)-dien-3-one

22. 3-oxo-4,9-estradien-17.beta.-ol

23. 4,9-estradien-17.beta.-ol-3-one

24. Cs-0212818

25. D4162

26. Ec 612-953-5

27. Estra-4,9-diene-17.beta.-ol-3-one

28. 17.beta.-hydroxyestra-4,9-dien-3-one

29. Estra-4,9-dien-3-one, 17-hydroxy-, (17beta)-

30. Q27295932

31. (17.beta.)-17-hydroxyestra-4,9-dien-3-one

32. Estra-4,9-dien-3-one, 17-hydroxy-, (17.beta.)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₄O₂
Molecular Weight	272.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	272.177630004 g/mol
Monoisotopic Mass	272.177630004 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	528
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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