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19669-93-3

19669-93-3 | 3-Chloro-17β-(acetoxy)androsta-2,4,6-triene-2-carbaldehyde

CAS No: 19669-93-3 Catalog No: AG00AX12 MDL No:

Product Description

Catalog Number:
AG00AX12
Chemical Name:
3-Chloro-17β-(acetoxy)androsta-2,4,6-triene-2-carbaldehyde
CAS Number:
19669-93-3
IUPAC Name:
[(8R,9S,10R,13S,14S,17S)-3-chloro-2-formyl-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C22H27ClO3/c1-13(25)26-20-7-6-17-16-5-4-15-10-19(23)14(12-24)11-22(15,3)18(16)8-9-21(17,20)2/h4-5,10,12,16-18,20H,6-9,11H2,1-3H3/t16-,17-,18-,20-,21-,22-/m0/s1
InChI Key:
WGBJULOFBYFINX-AUHDTZKSSA-N

Properties

Complexity:
749  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.165g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.905g/mol
Monoisotopic Mass:
374.165g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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