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2681-55-2 | Methyl-3-xox-4-androsten-17β-carboxylate
CAS No: 2681-55-2 Catalog No: AG003AE2 MDL No:MFCD00200877
Product Description
Catalog Number:
AG003AE2
Chemical Name:
Methyl-3-xox-4-androsten-17β-carboxylate
CAS Number:
2681-55-2
MDL Number:
MFCD00200877
IUPAC Name:
methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
InChI:
InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChI Key:
XWFWMYFLNHTEBF-YFWFAHHUSA-N
EC Number:
608-002-9
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
330.219g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.468g/mol
Monoisotopic Mass:
330.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Anti-AIDS agents. Part 36: 17-carboxylated steroids as potential anti-HIV agents. | Bioorganic & medicinal chemistry 19990901 |
| Azasteroids: structure-activity relationships for inhibition of 5 alpha-reductase and of androgen receptor binding. | Journal of medicinal chemistry 19861101 |
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