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4-Hydroxy Mestranol

CAS No.:
65694-22-6
Catalog Number:
AG00FDQD
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FDQD
Chemical Name:
4-Hydroxy Mestranol
CAS Number:
65694-22-6
MDL Number:
MFCD01711321
IUPAC Name:
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4,17-diol
InChI:
InChI=1S/C21H26O3/c1-4-21(23)12-10-17-15-5-6-16-13(7-8-18(24-3)19(16)22)14(15)9-11-20(17,21)2/h1,7-8,14-15,17,22-23H,5-6,9-12H2,2-3H3/t14-,15-,17+,20+,21+/m1/s1
InChI Key:
SRAITNKTWXKYDH-QOGIMEQTSA-N
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
326.188g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.188g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties