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158342-64-4 | Androst-5-en-17-one, 16-bromo-3-hydroxy-
CAS No: 158342-64-4 Catalog No: AG001Q4P MDL No:
Product Description
Catalog Number:
AG001Q4P
Chemical Name:
Androst-5-en-17-one, 16-bromo-3-hydroxy-
CAS Number:
158342-64-4
Molecular Formula:
C19H27BrO2
Molecular Weight:
367.3205
IUPAC Name:
(3S,10R,13S,14S,16R)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H27BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h3,12-16,21H,4-10H2,1-2H3/t12-,13?,14?,15-,16+,18-,19-/m0/s1
InChI Key:
WQCCGDRKRHLVJM-CCUOMXNSSA-N
SMILES:
OC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC(C2=O)Br)C)C1)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
366.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.327g/mol
Monoisotopic Mass:
366.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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