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24869-99-6 | Androstane-3,17-diol, 17-(hydrogen sulfate), (3α,5α,17β)-
CAS No: 24869-99-6 Catalog No: AG002PPG MDL No:
Product Description
Catalog Number:
AG002PPG
Chemical Name:
Androstane-3,17-diol, 17-(hydrogen sulfate), (3α,5α,17β)-
CAS Number:
24869-99-6
IUPAC Name:
[(8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
InChI:
InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12?,13?,14-,15-,16-,17?,18-,19-/m0/s1
InChI Key:
KWYNDVHEQWYGIL-CAHXEBCQSA-N
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
372.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.52g/mol
Monoisotopic Mass:
372.197g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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