Home Other Building Blocks 6-Dehydrocortisol Acetate

6-Dehydrocortisol Acetate

CAS No.:
21940-45-4
Catalog Number:
AG00C3BU
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C3BU
Chemical Name:
6-Dehydrocortisol Acetate
CAS Number:
21940-45-4
MDL Number:
MFCD03695629
IUPAC Name:
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChI:
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h4-5,10,16-18,20,26,28H,6-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
InChI Key:
VXLNNRNWOGKRPL-JZYPGELDSA-N
Properties
Complexity:
827  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
402.204g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
402.487g/mol
Monoisotopic Mass:
402.204g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties