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14610-49-2 | Androst-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7β,17β)-
CAS No: 14610-49-2 Catalog No: AG001DPH MDL No:
Product Description
Catalog Number:
AG001DPH
Chemical Name:
Androst-4-en-3-one, 17-(acetyloxy)-7-methyl-, (7β,17β)-
CAS Number:
14610-49-2
Molecular Formula:
C22H32O3
Molecular Weight:
344.4877
IUPAC Name:
(7,10,13-trimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) acetate
InChI:
InChI=1S/C22H32O3/c1-13-11-15-12-16(24)7-9-21(15,3)18-8-10-22(4)17(20(13)18)5-6-19(22)25-14(2)23/h12-13,17-20H,5-11H2,1-4H3
InChI Key:
SFECWQWNBHMGCT-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](C)CC2=CC(=O)CC[C@]12C
NSC Number:
136021
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.495g/mol
Monoisotopic Mass:
344.235g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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