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10147-53-2 | Androstan-3-one, 17-hydroxy-4-methyl-, (4α,5α,17β)-
CAS No: 10147-53-2 Catalog No: AG0004KC MDL No:
Product Description
Catalog Number:
AG0004KC
Chemical Name:
Androstan-3-one, 17-hydroxy-4-methyl-, (4α,5α,17β)-
CAS Number:
10147-53-2
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
(4S,5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1
InChI Key:
XHGXHTGXZKYMDE-VDBAHQDGSA-N
SMILES:
O=C1CC[C@]2([C@H]([C@@H]1C)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
UNII:
4J3T93G04F
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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