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18069-79-9 | Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate (9CI)
CAS No: 18069-79-9 Catalog No: AG00228Q MDL No:
Product Description
Catalog Number:
AG00228Q
Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-butanoate (9CI)
CAS Number:
18069-79-9
IUPAC Name:
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate
InChI:
InChI=1S/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1
InChI Key:
XRKFWLKYSYKIKT-KOVVAJLHSA-N
EC Number:
241-977-5
UNII:
340308DJ8M
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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