Home Other Building Blocks 2-HYDROXYESTRONE

2-HYDROXYESTRONE

CAS No.:
362-06-1
Catalog Number:
AG00C79S
Molecular Formula:
Molecular Weight:
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Purity
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Product Description
Catalog Number:
AG00C79S
Chemical Name:
2-HYDROXYESTRONE
CAS Number:
362-06-1
MDL Number:
MFCD00056414
IUPAC Name:
(8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChI Key:
SWINWPBPEKHUOD-JPVZDGGYSA-N
UNII:
UQS3A06ILY
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
286.157g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.371g/mol
Monoisotopic Mass:
286.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
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Changes in 2-hydroxyestrone and 16alpha-hydroxyestrone metabolism with flaxseed consumption: modification by COMT and CYP1B1 genotype. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20070201
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Multilocus analysis of SNP and metabolic data within a given pathway. BMC genomics 20060101
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Properties