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2862-68-2 | Androst-5-en-17-one, 3-(acetyloxy)-16-methylene-, (3β)-
CAS No: 2862-68-2 Catalog No: AG002VVZ MDL No:
Product Description
Catalog Number:
AG002VVZ
Chemical Name:
Androst-5-en-17-one, 3-(acetyloxy)-16-methylene-, (3β)-
CAS Number:
2862-68-2
Molecular Formula:
C22H30O3
Molecular Weight:
342.4718
IUPAC Name:
(10,13-dimethyl-16-methylidene-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C22H30O3/c1-13-11-19-17-6-5-15-12-16(25-14(2)23)7-9-21(15,3)18(17)8-10-22(19,4)20(13)24/h5,16-19H,1,6-12H2,2-4H3
InChI Key:
PUCXZBGPUPYKFE-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC(=C)C2=O)C)C1)C
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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