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Home > Pyridines > 154229-21-7
154229-21-7 | 17-(3-pyridinyl)-androsta-4,16-diene-3-one
CAS No: 154229-21-7 Catalog No: AG0032O3 MDL No:
Product Description
Catalog Number:
AG0032O3
Chemical Name:
17-(3-pyridinyl)-androsta-4,16-diene-3-one
CAS Number:
154229-21-7
Molecular Formula:
C24H29NO
Molecular Weight:
347.4932
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1
InChI Key:
GYJZZAJJENTSTP-NHFPKVKZSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2c1cccnc1)C)C
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
347.225g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.502g/mol
Monoisotopic Mass:
347.225g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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