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56052-90-5 | 2α-Iodo-5α-cholestan-3-one ethylene acetal
CAS No: 56052-90-5 Catalog No: AG00DYY3 MDL No:
Product Description
Catalog Number:
AG00DYY3
Chemical Name:
2α-Iodo-5α-cholestan-3-one ethylene acetal
CAS Number:
56052-90-5
IUPAC Name:
(2R,5S,8R,9S,10S,13R,14S,17R)-2-iodo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
InChI:
InChI=1S/C29H49IO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)26(30)18-28(21,5)25(22)13-14-27(23,24)4/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+/m1/s1
InChI Key:
VUYVBINDYFPGBI-JPOBPWGRSA-N
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
556.278g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.613g/mol
Monoisotopic Mass:
556.278g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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