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1880-61-1 | Androsta-1,4-diene-3,17-dione, 9-fluoro-11-hydroxy-16-methyl-, (11β,16α)-
CAS No: 1880-61-1 Catalog No: AG002GNN MDL No:
Product Description
Catalog Number:
AG002GNN
Chemical Name:
Androsta-1,4-diene-3,17-dione, 9-fluoro-11-hydroxy-16-methyl-, (11β,16α)-
CAS Number:
1880-61-1
Molecular Formula:
C20H25FO3
Molecular Weight:
332.4091
IUPAC Name:
(8S,9R,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C20H25FO3/c1-11-8-15-14-5-4-12-9-13(22)6-7-19(12,3)20(14,21)16(23)10-18(15,2)17(11)24/h6-7,9,11,14-16,23H,4-5,8,10H2,1-3H3/t11-,14+,15+,16+,18+,19+,20+/m1/s1
InChI Key:
IZLVPOBNINIXJM-FETOPEPRSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H](C2=O)C)C)C
UNII:
PMQ09660QC
NSC Number:
50909
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
332.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.415g/mol
Monoisotopic Mass:
332.179g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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