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1242-56-4 | Androst-1-en-3-one, 17-(acetyloxy)-2-methyl-, (5α,17β)-
CAS No: 1242-56-4 Catalog No: AG000LNU MDL No:
Product Description
Catalog Number:
AG000LNU
Chemical Name:
Androst-1-en-3-one, 17-(acetyloxy)-2-methyl-, (5α,17β)-
CAS Number:
1242-56-4
Molecular Formula:
C22H32O3
Molecular Weight:
344.4877
IUPAC Name:
[(5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C22H32O3/c1-13-12-22(4)15(11-19(13)24)5-6-16-17-7-8-20(25-14(2)23)21(17,3)10-9-18(16)22/h12,15-18,20H,5-11H2,1-4H3/t15-,16-,17-,18-,20-,21-,22-/m0/s1
InChI Key:
FYTLCZSXKONUTF-OIELIUQCSA-N
SMILES:
CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=C(C)C(=O)C2
UNII:
36HF75V9XI
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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