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85135-81-5 | 17beta-hydroxyandrost-4-en-3-one decanoylglycolate
CAS No: 85135-81-5 Catalog No: AG00GCWF MDL No:
Product Description
Catalog Number:
AG00GCWF
Chemical Name:
17beta-hydroxyandrost-4-en-3-one decanoylglycolate
CAS Number:
85135-81-5
IUPAC Name:
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-hydroxy-3-oxododecanoate
InChI:
InChI=1S/C31H48O5/c1-4-5-6-7-8-9-10-11-26(33)28(34)29(35)36-27-15-14-24-23-13-12-21-20-22(32)16-18-30(21,2)25(23)17-19-31(24,27)3/h20,23-25,27-28,34H,4-19H2,1-3H3/t23-,24-,25-,27-,28?,30-,31-/m0/s1
InChI Key:
GFNGHNQLACFSPX-GHJVWEBLSA-N
EC Number:
285-702-7
Properties
Complexity:
861
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
500.35g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.72g/mol
Monoisotopic Mass:
500.35g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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