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23400-85-3 | 3-Aza-A-homo-19-norpregn-4a-en-20-yn-4-one, 17-(acetyloxy)-, (17α)- (9CI)
CAS No: 23400-85-3 Catalog No: AG002N3L MDL No:
Product Description
Catalog Number:
AG002N3L
Chemical Name:
3-Aza-A-homo-19-norpregn-4a-en-20-yn-4-one, 17-(acetyloxy)-, (17α)- (9CI)
CAS Number:
23400-85-3
IUPAC Name:
[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate
InChI:
InChI=1S/C22H29NO3/c1-4-22(26-14(2)24)11-8-19-18-6-5-15-13-20(25)23-12-9-16(15)17(18)7-10-21(19,22)3/h1,13,16-19H,5-12H2,2-3H3,(H,23,25)/t16-,17+,18+,19-,21-,22-/m0/s1
InChI Key:
ZSCLRRKLJCRKHF-YBHNGBFFSA-N
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
355.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.478g/mol
Monoisotopic Mass:
355.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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