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Estrone

CAT: 0607-A8426-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A8426-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Estrogenic hormone
CAS Number
53-16-7
Product Name Alternative
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Field of Research
Endocrinology and Hormones Estrogen progestogen Receptor
Purity
0.9907
Form
A solid
Solubility
insoluble in H2O; ≥9.2 mg/mL in EtOH with gentle warming and ultrasonic; ≥9.75 mg/mL in DMSO
Smiles
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
Molecular Formula
C18H22O2
Molecular Weight
270.37
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Estrone

Estrone can cause cancer according to an independent committee of scientific and health experts.

CAS Number53-16-7
PubChem CID5870
IUPAC Name(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular FormulaC18H22O2
Molecular Weight270.4
XLogP3.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity418
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey
DNXHEGUUPJUMQT-CBZIJGRNSA-N
Chemical Structure
2D Structure
2D structure of Estrone
CAS: 53-16-7
CID: 5870
Formula: C18H22O2
MW: 270.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass270.161979940
Monoisotopic Mass270.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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