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Home Other Building Blocks Estra-1,3,5(10)-trien-17-one, 3-methoxy-

Estra-1,3,5(10)-trien-17-one, 3-methoxy-

CAS No.:
1624-62-0
Catalog Number:
AG001T2T
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$158
- +
5g
98%(HPLC)
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG001T2T
Chemical Name:
Estra-1,3,5(10)-trien-17-one, 3-methoxy-
CAS Number:
1624-62-0
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
MDL Number:
MFCD00046228
IUPAC Name:
(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChI:
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChI Key:
BCWWDWHFBMPLFQ-VXNCWWDNSA-N
SMILES:
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
EC Number:
216-613-3
UNII:
4SMZ4A51IJ
NSC Number:
88911
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Elucidation of the decomposition pathways of protonated and deprotonated estrone ions: application to the identification of photolysis products. Rapid communications in mass spectrometry : RCM 20101030
Elucidation of the dissociation pathways of electro-ionized estrone. Rapid communications in mass spectrometry : RCM 20100415
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties