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123171-56-2 | 27-Norcholest-7-en-6-one, 25-[4-[(bromoacetyl)oxy]butyl]-2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R,25S)- (9CI)
CAS No: 123171-56-2 Catalog No: AG000K3T MDL No:
Product Description
Catalog Number:
AG000K3T
Chemical Name:
27-Norcholest-7-en-6-one, 25-[4-[(bromoacetyl)oxy]butyl]-2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R,25S)- (9CI)
CAS Number:
123171-56-2
IUPAC Name:
[5,8,9-trihydroxy-5-methyl-9-(2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)decyl] 2-bromoacetate
InChI:
InChI=1S/C32H51BrO9/c1-28(39,10-5-6-14-42-27(38)18-33)11-9-26(37)31(4,40)25-8-13-32(41)20-15-22(34)21-16-23(35)24(36)17-29(21,2)19(20)7-12-30(25,32)3/h15,19,21,23-26,35-37,39-41H,5-14,16-18H2,1-4H3
InChI Key:
MKOAYSNIIVISQK-UHFFFAOYSA-N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
658.272g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
659.655g/mol
Monoisotopic Mass:
658.272g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
11
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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