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b-Estradiol 17-Acetate

CAT: 0572-TRC-E888005-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E888005-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1743-60-8
Synonyms
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-acetate; Estradiol, 17-acetate (6CI,7CI,8CI); 17β-Acetoxyestra-1,3,5(10)-trien-3-ol; 17β-Acetylestradiol; 17β-Estradiol 17-acetate; Estra-1,3,5(10)-triene-3,17β-diol 17-acetate; Estradiol 17-monoacetate; β-Estradiol 17-acetate
Hazard Statement
May damage fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Molecular Formula
C20 H26 O3
Molecular Weight
314.42
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
Additionnal Information
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
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Estradiol 17-acetate

Beta-Estradiol 17-acetate is a steroid ester.

CAS Number1743-60-8
PubChem CID6852404
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
Molecular FormulaC20H26O3
Molecular Weight314.4
XLogP4.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity476
SMILES
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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
InChIKey
QAHOQNJVHDHYRN-SLHNCBLASA-N
Chemical Structure
2D Structure
2D structure of Estradiol 17-acetate
CAS: 1743-60-8
CID: 6852404
Formula: C20H26O3
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area46.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes