Home Other Building Blocks Sitostanol-5,6,22,23-D4

Sitostanol-5,6,22,23-D4

CAS No.:
150044-25-0
Catalog Number:
AG00BBIP
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BBIP
Chemical Name:
Sitostanol-5,6,22,23-D4
CAS Number:
150044-25-0
MDL Number:
MFCD09842729
IUPAC Name:
(3S,5S,8R,9S,10S,13R,14S,17R)-5,6-dideuterio-17-[(2R,5R)-3,4-dideuterio-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1/i8D,9D,10D,22D/t8?,9?,10?,20-,21-,22+,23+,24+,25-,26+,27+,28+,29-
InChI Key:
LGJMUZUPVCAVPU-DRBICYPTSA-N
Properties
Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
420.427g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Molecular Weight:
420.758g/mol
Monoisotopic Mass:
420.427g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2  
Properties