Home Carboxys 4-Androsten-3-one-5-ene-17-carboxylic acid

4-Androsten-3-one-5-ene-17-carboxylic acid

CAS No.:
302-97-6
Catalog Number:
AG00BBLW
Molecular Formula:
C20H28O3
Molecular Weight:
316.4345
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$200
- +
10g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00BBLW
Chemical Name:
4-Androsten-3-one-5-ene-17-carboxylic acid
CAS Number:
302-97-6
Molecular Formula:
C20H28O3
Molecular Weight:
316.4345
MDL Number:
MFCD00271288
IUPAC Name:
(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-carboxylic acid
InChI:
InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1
InChI Key:
YQACAXHKQZCEOI-UDCWSGSHSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)O)C)C
EC Number:
414-990-0
UNII:
6E3DV757KY
Properties
Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
316.204g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.441g/mol
Monoisotopic Mass:
316.204g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Steroids linked with amide bond-extended cholesterol. Steroids 20090101
Etienic etienate as synthon for the synthesis of steroid oligoester gelators. Steroids 20050801
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
Properties