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56784-27-1 | 3-Acetyloxy-17α-iodoandrostan-11-one
CAS No: 56784-27-1 Catalog No: AG00EMO4 MDL No:
Product Description
Catalog Number:
AG00EMO4
Chemical Name:
3-Acetyloxy-17α-iodoandrostan-11-one
CAS Number:
56784-27-1
IUPAC Name:
[(8S,9S,10S,13S,14S,17R)-17-iodo-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C21H31IO3/c1-12(23)25-14-8-9-20(2)13(10-14)4-5-15-16-6-7-18(22)21(16,3)11-17(24)19(15)20/h13-16,18-19H,4-11H2,1-3H3/t13?,14?,15-,16-,18+,19+,20-,21-/m0/s1
InChI Key:
AJXVIYZCFVCWPY-JPSSLKELSA-N
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
458.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.38g/mol
Monoisotopic Mass:
458.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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