Home Other Building Blocks CHOLESTEROL-25,26,27-13C3

CHOLESTEROL-25,26,27-13C3

CAS No.:
335080-97-2
Catalog Number:
AG00CHJ1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00CHJ1
Chemical Name:
CHOLESTEROL-25,26,27-13C3
CAS Number:
335080-97-2
MDL Number:
MFCD01073852
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-(113C)methyl(6,7-13C2)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21?,22+,23-,24+,25+,26+,27-/m1/s1/i1+1,2+1,18+1
InChI Key:
HVYWMOMLDIMFJA-GZKKNSGCSA-N
Properties
Complexity:
591  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.365g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
3  
Molecular Weight:
389.641g/mol
Monoisotopic Mass:
389.365g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7  
Properties