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2506-60-7 | 3'H-Cycloprop[1,2]androsta-1,4-dien-3-one, 17-(acetyloxy)-1,2-dihydro-, (1β,2β,17β)- (9CI)
CAS No: 2506-60-7 Catalog No: AG002QBQ MDL No:
Product Description
Catalog Number:
AG002QBQ
Chemical Name:
3'H-Cycloprop[1,2]androsta-1,4-dien-3-one, 17-(acetyloxy)-1,2-dihydro-, (1β,2β,17β)- (9CI)
CAS Number:
2506-60-7
IUPAC Name:
[(1S,2S,3S,5R,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-enyl] acetate
InChI:
InChI=1S/C22H30O3/c1-12(23)25-20-7-6-16-14-5-4-13-10-19(24)15-11-18(15)22(13,3)17(14)8-9-21(16,20)2/h10,14-18,20H,4-9,11H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-,22-/m0/s1
InChI Key:
DLOPLYAHWFOTGD-BCJMKXOLSA-N
NSC Number:
75052
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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