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10247-98-0 | Androst-5-en-3-one
CAS No: 10247-98-0 Catalog No: AG0007KC MDL No:
Product Description
Catalog Number:
AG0007KC
Chemical Name:
Androst-5-en-3-one
CAS Number:
10247-98-0
Molecular Formula:
C19H28O
Molecular Weight:
272.4250
IUPAC Name:
(8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1
InChI Key:
MSEZLHAVPJYYIQ-VMXHOPILSA-N
SMILES:
O=C1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2)C)C1)C
NSC Number:
69543
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
272.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.432g/mol
Monoisotopic Mass:
272.214g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Synthesis of free and sulphoconjugated 16-androstene steroids by the Leydig cells of the mature domestic boar. | The Journal of steroid biochemistry and molecular biology 20050701 |
| Metabolism of the 16-androstene steroids in primary cultured porcine hepatocytes. | The Journal of steroid biochemistry and molecular biology 20050601 |
| Binding of the pheromonal steroid, 5alpha-androst-16-en-3-one, to membrane-enriched fractions of boar and rat olfactory epithelium; preliminary evidence for binding protein being a glycoprotein. | The Journal of steroid biochemistry and molecular biology 20030801 |
| Biotransformation XLV. Transformations of 4-ene-3-oxo steroids in Fusarium culmorum culture. | The Journal of steroid biochemistry and molecular biology 19981001 |
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