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14517-40-9 | Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (3β)-
CAS No: 14517-40-9 Catalog No: AG001KN1 MDL No:
Product Description
Catalog Number:
AG001KN1
Chemical Name:
Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl dithioacetal, (3β)-
CAS Number:
14517-40-9
Molecular Formula:
C21H32OS2
Molecular Weight:
364.6082
IUPAC Name:
10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dithiolane]-3-ol
InChI:
InChI=1S/C21H32OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,15-18,22H,4-13H2,1-2H3
InChI Key:
WROCQXQWVLSOQA-UHFFFAOYSA-N
SMILES:
OC1CCC2(C(=CCC3C2CCC2(C3CCC32SCCS3)C)C1)C
NSC Number:
124734
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.606g/mol
Monoisotopic Mass:
364.189g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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