(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one - ≥95% , CAS No.53-45-2

CAS: 53-45-2 Cat. No.: M693366 Peso molecular: 254.4 PubChem CID: 5882
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
25mg
M693366-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
346,90US$
100mg
M693366-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

627,90US$

732,90US$
Guardar 105,00 US$ (14.33%)
250mg
M693366-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.207,90US$

1.408,90US$
Guardar 201,00 US$ (14.27%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Propiedades del producto
ALogP3.5
Nombres e identificadores
Sonrisas canónicasCC12CCC3C(C1CCC2=O)CCC4=CC=CC=C34
IUPAC Name(8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKeyLGHBWDKMGOIZKH-CBZIJGRNSA-N
INCHI1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1
Isómeros SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC=CC=C34
PubChem CID 5882
Peso molecular 254.4

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 ParentEstrane steroids
Alternative Parents 17-oxosteroids  Phenanthrenes and derivatives  Tetralins  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Oxosteroid - 17-oxosteroid - Estrane-skeleton - Phenanthrene - Tetralin - Benzenoid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.
External Descriptors steroid
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP1B1 Tchem Cytochrome P450 1B1 (1148 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 molecular254.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass254.167 Da
Monoisotopic Mass254.167 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity387.000
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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