Home Other Building Blocks 4-CHOLESTEN-3-ONE-4-13C

4-CHOLESTEN-3-ONE-4-13C

CAS No.:
68165-57-1
Catalog Number:
AG00FBNY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FBNY
Chemical Name:
4-CHOLESTEN-3-ONE-4-13C
CAS Number:
68165-57-1
MDL Number:
MFCD06658548
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C27H44O/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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1/i17+1
InChI Key:
NYOXRYYXRWJDKP-HLMQNULZSA-N
Properties
Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
385.343g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1  
Molecular Weight:
385.64g/mol
Monoisotopic Mass:
385.343g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  
Properties