Home Other Building Blocks Estra-5,7,9-triene-3β,17β-diol

Estra-5,7,9-triene-3β,17β-diol

CAS No.:
517-07-7
Catalog Number:
AG00DV54
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DV54
Chemical Name:
Estra-5,7,9-triene-3β,17β-diol
CAS Number:
517-07-7
MDL Number:
MFCD00134361
IUPAC Name:
(3S,13S,14S,17S)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,12,16-17,19-20H,3,5-10H2,1H3/t12-,16-,17-,18-/m0/s1
InChI Key:
FHUJXHJKJMSASV-JUKXBJQTSA-N
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties