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10183-45-6 | Androst-4-en-3-one, 16-fluoro-17-(1-oxopropoxy)-, (16β,17β)- (9CI)
CAS No: 10183-45-6 Catalog No: AG0005NT MDL No:
Product Description
Catalog Number:
AG0005NT
Chemical Name:
Androst-4-en-3-one, 16-fluoro-17-(1-oxopropoxy)-, (16β,17β)- (9CI)
CAS Number:
10183-45-6
Molecular Formula:
C22H31FO3
Molecular Weight:
362.4781
IUPAC Name:
[(8R,9S,10R,13S,14S,16S,17R)-16-fluoro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate
InChI:
InChI=1S/C22H31FO3/c1-4-19(25)26-20-18(23)12-17-15-6-5-13-11-14(24)7-9-21(13,2)16(15)8-10-22(17,20)3/h11,15-18,20H,4-10,12H2,1-3H3/t15-,16+,17+,18+,20+,21+,22+/m1/s1
InChI Key:
AFBZBYQKIMBONK-RNXAVOFCSA-N
SMILES:
CCC(=O)O[C@H]1[C@@H](F)C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
UNII:
IM42QWN5PD
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
362.226g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.485g/mol
Monoisotopic Mass:
362.226g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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