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66277-12-1 | 19-iodocholesterol 3-ethyl ether
CAS No: 66277-12-1 Catalog No: AG00FT4U MDL No:
Product Description
Catalog Number:
AG00FT4U
Chemical Name:
19-iodocholesterol 3-ethyl ether
CAS Number:
66277-12-1
IUPAC Name:
(3S,8S,9S,10S,13R,14S,17R)-3-ethoxy-10-(iodomethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
InChI:
InChI=1S/C29H49IO/c1-6-31-23-14-17-29(19-30)22(18-23)10-11-24-26-13-12-25(21(4)9-7-8-20(2)3)28(26,5)16-15-27(24)29/h10,20-21,23-27H,6-9,11-19H2,1-5H3/t21-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChI Key:
VNONSVJHTAHLPB-KYZQNHQYSA-N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
540.283g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.614g/mol
Monoisotopic Mass:
540.283g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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