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Estriol

CAT: 1596-AR-E01938-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01938-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-27-1
Synonyms
(16?,17?) -Estra-1,3,5[10]-triene-3,16,17-triol; Acifemine; Colpogyn; Destriol; Ovesterin; Ovestin; Tridestrin; Tricovex; Estriol
Molecular Formula
C18H24O3
Molecular Weight
288.39
API Name
Estriol

Chemical Information

Estriol

Estriol is a 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). It has a role as an estrogen, a mouse metabolite, a human xenobiotic metabolite and a human metabolite. It is a 16alpha-hydroxy steroid, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It derives from a hydride of an estrane.

CAS Number50-27-1
PubChem CID5756
IUPAC Name(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular FormulaC18H24O3
Molecular Weight288.4
XLogP2.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity411
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey
PROQIPRRNZUXQM-ZXXIGWHRSA-N
Chemical Structure
2D Structure
2D structure of Estriol
CAS: 50-27-1
CID: 5756
Formula: C18H24O3
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass288.17254462
Monoisotopic Mass288.17254462
Topological Polar Surface Area60.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
367429Estriol 3 (Estriol-3, Estriol) discontinued
367431Estriol 3 (Estriol) discontinued
B1507-50Estriol

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