Home Other Building Blocks 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate

11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate

CAS No.:
6678-00-8
Catalog Number:
AG00FDCS
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FDCS
Chemical Name:
11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate
CAS Number:
6678-00-8
MDL Number:
MFCD03695660
IUPAC Name:
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
InChI:
InChI=1S/C26H38O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28,31H,4-12,14-15H2,1-3H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
InChI Key:
XHDMDWMKAYYIRK-FZNHGJLXSA-N
EC Number:
229-716-3
Properties
Complexity:
832  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
446.267g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
446.584g/mol
Monoisotopic Mass:
446.267g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties