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109628-17-3 | 6-(2'-iodo)ethyl-19-norcholest-5(10)-ene-3-ol
CAS No: 109628-17-3 Catalog No: AG009QK8 MDL No:
Product Description
Catalog Number:
AG009QK8
Chemical Name:
6-(2'-iodo)ethyl-19-norcholest-5(10)-ene-3-ol
CAS Number:
109628-17-3
IUPAC Name:
(3S,6S,8S,9S,13R,14S,17R)-6-(2-(131I)iodanylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C28H47IO/c1-18(2)6-5-7-19(3)26-10-11-27-25-16-20(13-15-29)24-17-21(30)8-9-22(24)23(25)12-14-28(26,27)4/h18-21,23,25-27,30H,5-17H2,1-4H3/t19-,20-,21+,23-,25-,26-,27+,28-/m1/s1/i29+4
InChI Key:
MPBUQXGMQDVOIR-YSOOSTPMSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
530.269g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
530.589g/mol
Monoisotopic Mass:
530.269g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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