17-Deoxyestradiol , CAS No.53-63-4

CAS: 53-63-4 Cat. No.: D667829 Peso molecular: 256.399 Número EC: 148-904-5 PubChem CID: 5888
Disponible para pedir
Synonyms
17-Deoxyestradiol | 17-Desoxyestradiol | 17-Deoxyestrone | Deoxoestrone | Estrone, 17-deoxy- | 3-Hydroxyestra-1,3,5(10)-triene | 17-Deoxyoestrone | ESTRA-1,3,5(10)-TRIEN-3-OL | 17-deoxoestrone | 17-Desoxyestrone | estra-1(10),2,4-trien-3-ol | OESTRA-1,3,5
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
D667829-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
D667829-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
17-Deoxyestradiol | 17-Desoxyestradiol | 17-Deoxyestrone | Deoxoestrone | Estrone, 17-deoxy- | 3-Hydroxyestra-1, 3, 5(10)-triene | 17-Deoxyoestrone | ESTRA-1, 3, 5(10)-TRIEN-3-OL | 17-deoxoestrone | 17-Desoxyestrone | estra-1(10), 2, 4-trien-3-ol | OESTRA-1, 3, 5
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP5.6
Nombres e identificadores
Sonrisas canónicasCC12CCCC1C3CCC4=C(C3CC2)C=CC(=C4)O
IUPAC Name(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
InChIKeyHJKVPZJVBHWFCQ-BDXSIMOUSA-N
INCHI1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1
Isómeros SMILES C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O
PubChem CID 5888
Peso molecular 256.399

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClaseSteroids and steroid derivatives
SubclassEstrane steroids
Intermediate Tree Nodes Not available
Direct ParentEstrogens and derivatives
Alternative Parents 3-hydroxysteroids  Phenanthrenes and derivatives  Tetralins  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Estrogen-skeleton - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
External Descriptors 3-hydroxy steroid
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
SHBG Tchem Sex hormone-binding globulin (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B7 Tchem 3-keto-steroid reductase (330 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Nr1i3 Constitutive androstane receptor (427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Shbg Testis-specific androgen-binding protein (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular256.399 g/mol
XLogP35.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass256.183 Da
Monoisotopic Mass256.183 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count19
Formal Charge0
Complexity352.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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