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6-Dehydrocortisol

CAS No.:
600-99-7
Catalog Number:
AG00EEHP
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EEHP
Chemical Name:
6-Dehydrocortisol
CAS Number:
600-99-7
MDL Number:
MFCD03695628
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3-4,9,14-16,18,22,24,26H,5-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI Key:
IFOXVSBZLASBJM-VWUMJDOOSA-N
NSC Number:
12881
Properties
Complexity:
724  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
360.194g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
360.45g/mol
Monoisotopic Mass:
360.194g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties