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Estrone

CAT: 0804-HY-B0234-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B0234-04Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
CAS Number
53-16-7
Product Name Alternative
E1; Oestrone
UNSPSC
12352005
Hazard Statement
H351, H362
Target
Endogenous Metabolite; Estrogen Receptor/ERR
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Endocrinology; Cancer
Assay Protocol
https://www.medchemexpress.com/Estrone.html
Concentration
10mM
Purity
99.96
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : < 0.1 mg/mL (ultrasonic)
Smiles
C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=C(C=CC(O)=C4)[C@@]3([H])CC1)C2=O
Molecular Formula
C18H22O2
Molecular Weight
270.37
Precautions
H351, H362
References & Citations
[1]Caupos E, et al. Photodegradation of estrone enhanced by dissolved organic matter under simulated sunlight. Water Res. 2011;45 (11) :3341-3350.|[2]de Padua Mansur A, et al. Long-term prospective study of the influence of estrone levels on events in postmenopausal women with or at high risk for coronary artery disease. ScientificWorldJournal. 2012;2012:363595.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
Launched
Isoform
Human Endogenous Metabolite

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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