Home Other Building Blocks 17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)

17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)

CAS No.:
14364-98-8
Catalog Number:
AG00AE2F
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AE2F
Chemical Name:
17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)
CAS Number:
14364-98-8
MDL Number:
MFCD31562871
IUPAC Name:
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate
InChI:
InChI=1S/C38H46O11/c1-21(39)45-32-33(46-22(2)40)35(47-23(3)41)37(49-34(32)36(42)43-5)48-31-16-15-30-29-13-11-25-19-26(44-20-24-9-7-6-8-10-24)12-14-27(25)28(29)17-18-38(30,31)4/h6-10,12,14,19,28-35,37H,11,13,15-18,20H2,1-5H3/t28-,29-,30+,31+,32+,33+,34+,35-,37-,38+/m1/s1
InChI Key:
FNEMHHUYYPYPOD-YRRBPLPKSA-N
Properties
Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
678.304g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.775g/mol
Monoisotopic Mass:
678.304g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Properties