(11b)-21-(Acetyloxy)-11-hydroxypregna-1,4,16-triene-3,20-dione - ≥95% , CAS No.3044-42-6

CAS: 3044-42-6 Cat. No.: H770138 Peso molecular: 384.47 Número EC: 221-250-9 PubChem CID: 102365
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature,Desiccated
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
H770138-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

35,90US$

41,90US$
Guardar 6,00 US$ (14.32%)
1g
H770138-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

97,90US$

113,90US$
Guardar 16,00 US$ (14.05%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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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, Desiccated
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC(=O)OCC(=O)C1=CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
InChIKeyABGUZAVIFZZDDZ-MHYQPVDNSA-N
INCHI1S/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3/t16-,17-,19-,21+,22-,23-/m0/s1
Isómeros SMILES CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C
PubChem CID 102365
Peso molecular 384.47

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.

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🔬 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
SubclassOxosteroids
Intermediate Tree Nodes Not available
Direct Parent20-oxosteroids
Alternative Parents Androgens and derivatives  3-oxo delta-1,4-steroids  11-beta-hydroxysteroids  Delta-1,4-steroids  Alpha-acyloxy ketones  Secondary alcohols  Cyclic ketones  Cyclic alcohols and derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents 20-oxosteroid - Androgen-skeleton - Androstane-skeleton - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular384.500 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass384.194 Da
Monoisotopic Mass384.194 Da
Topological Polar Surface Area80.700 Ų
Heavy Atom Count28
Formal Charge0
Complexity834.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
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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