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NSC 9705-d8

CAS No.:
1271728-07-4
Catalog Number:
AG009FIV
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009FIV
Chemical Name:
NSC 9705-d8
CAS Number:
1271728-07-4
MDL Number:
MFCD03428261
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1/i3D2,7D2,9D,11D2,16D
InChI Key:
OMFXVFTZEKFJBZ-VWODBOJYSA-N
Properties
Complexity:
638  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
354.265g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
8  
Molecular Weight:
354.516g/mol
Monoisotopic Mass:
354.265g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties