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Home Other Building Blocks Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-acetate

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-acetate

CAS No.:
1743-60-8
Catalog Number:
AG001ZKR
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$140
- +
Product Description
Catalog Number:
AG001ZKR
Chemical Name:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-acetate
CAS Number:
1743-60-8
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
MDL Number:
MFCD00056537
IUPAC Name:
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChI Key:
QAHOQNJVHDHYRN-SLHNCBLASA-N
SMILES:
CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O
EC Number:
605-722-5
UNII:
2VM9HO33RU
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
314.188g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.425g/mol
Monoisotopic Mass:
314.188g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Estrogen increases hair pigmentation in female recessive yellow mice. Zoological science 20100601
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
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
Comparison of skin distribution of hydrolytic activity for bioconversion of beta-estradiol 17-acetate between man and several animals in vitro. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20020901
LCAT facilitates transacylation of 17 beta-estradiol in the presence of HDL3 subfraction. Journal of lipid research 20020301
Properties