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Estriol

CAT: 0931-T1571-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T1571-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-27-1
Target
Endogenous Metabolite, Estrogen Receptor/ERR, MRP, Estrogen/progestogen Receptor
Related Pathways
Endocrinology/Hormones, Metabolism, Immunology/Inflammation
Purity
0.9855
Bioactivity
Estriol (Oestriol) is a hydroxylated metabolite of ESTRADIOL or ESTRONE that has a hydroxyl group at C3, 16-alpha, and 17-beta position. Estriol is a major urinary estrogen. During PREGNANCY, a large amount of estriol is produced by the PLACENTA.
Smiles
CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O
Molecular Formula
C18H24O3
Molecular Weight
288.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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