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28572-75-0 | Estra-1,3,5(10)-triene-3,17-diol (17β)-, mono(benzenepropanoate)
CAS No: 28572-75-0 Catalog No: AG002VQ6 MDL No:
Product Description
Catalog Number:
AG002VQ6
Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, mono(benzenepropanoate)
CAS Number:
28572-75-0
IUPAC Name:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
InChI:
InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(30-26(29)14-7-18-5-3-2-4-6-18)17-19(21)8-10-23(22)24(27)12-13-25(27)28/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1
InChI Key:
VGRUNRLBMHTJER-RYIFMDQWSA-N
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
404.235g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.55g/mol
Monoisotopic Mass:
404.235g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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