Home Other Building Blocks estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate

estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate

CAS No.:
6045-53-0
Catalog Number:
AG00EJPJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EJPJ
Chemical Name:
estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate
CAS Number:
6045-53-0
MDL Number:
MFCD01822033
IUPAC Name:
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
InChI:
InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1
InChI Key:
UYIFTLBWAOGQBI-ABMICEGHSA-N
EC Number:
227-938-5
UNII:
EB090UC9W9
Properties
Complexity:
582  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
376.204g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
376.496g/mol
Monoisotopic Mass:
376.204g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties