Home Other Building Blocks 5a-Pregnan-3a-ol-20-one-d4

5a-Pregnan-3a-ol-20-one-d4

CAS No.:
203805-85-0
Catalog Number:
AG00BIQN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BIQN
Chemical Name:
5a-Pregnan-3a-ol-20-one-d4
CAS Number:
203805-85-0
MDL Number:
MFCD01073477
IUPAC Name:
1-[(3R,5S,8R,9S,10S,13S,14S,17S)-1,2,2,3-tetradeuterio-3-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
InChI:
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1/i8D2,10D,15D/t10?,14-,15+,16-,17+,18-,19-,20-,21+
InChI Key:
AURFZBICLPNKBZ-AGXWJZRASA-N
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.281g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Molecular Weight:
322.525g/mol
Monoisotopic Mass:
322.281g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties