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1228077-96-0 | 4-Methoxy-[13C,2H3]-estradiol
CAS No: 1228077-96-0 Catalog No: AG01FGG6 MDL No:
Product Description
Catalog Number:
AG01FGG6
Chemical Name:
4-Methoxy-[13C,2H3]-estradiol
CAS Number:
1228077-96-0
IUPAC Name:
(8R,9S,13S,14S,17S)-13-methyl-4-(trideuterio(113C)methoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1/i2+1D3
InChI Key:
BCWZIZLVBYHFES-FDOHHOGYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
306.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
306.425g/mol
Monoisotopic Mass:
306.21g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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