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Home Other Building Blocks Androst-4-ene-3,6,17-trione

Androst-4-ene-3,6,17-trione

CAS No.:
2243-06-3
Catalog Number:
AG00BBYH
Molecular Formula:
C19H24O3
Molecular Weight:
300.3921
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Product Description
Catalog Number:
AG00BBYH
Chemical Name:
Androst-4-ene-3,6,17-trione
CAS Number:
2243-06-3
Molecular Formula:
C19H24O3
Molecular Weight:
300.3921
MDL Number:
MFCD00199643
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
InChI:
InChI=1S/C19H24O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14H,3-8,10H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1
InChI Key:
PJMNEPMSGCRSRC-IEVKOWOJSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
UNII:
L8L0381OBP
Properties
Complexity:
616  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
300.173g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.398g/mol
Monoisotopic Mass:
300.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
In vitro metabolic studies using homogenized horse liver in place of horse liver microsomes. Drug testing and analysis 20110601
In vitro and in vivo studies of androst-4-ene-3,6,17-trione in horses by gas chromatography-mass spectrometry. Biomedical chromatography : BMC 20100701
Mass spectrometric analysis of oxygenations in aromatization of androst-4-ene-3,6,17-trione, a suicide substrate of aromatase, by placental microsomes. Isotope effect and stereochemistry. The Journal of steroid biochemistry and molecular biology 20070101
Quantitative analysis of androst-4-ene-3,6,17-trione and metabolites in human urine after the administration of a food supplement by liquid chromatography/ion trap-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20051215
Detection of androst-4-ene-3,6,17-trione (6-OXO) and its metabolites in urine by gas chromatography-mass spectrometry in relation to doping analysis. Biomedical chromatography : BMC 20051101
[Biotransformation of dehydroepiandrosterone by hairy root cultures of Anisodus tanguticus]. Yao xue xue bao = Acta pharmaceutica Sinica 20040601
A new hypothesis based on suicide substrate inhibitor studies for the mechanism of action of aromatase. Cancer research 19820801
Properties