Ouabain octahydrate - Moligand™, ≥98% , CAS No.11018-89-6

CAS: 11018-89-6 Cat. No.: G129536 Peso molecular: 728.77 Beilstein Registry Number: 101712 Número EC: 628-959-6
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1,5,11,14,19-PENTAHYDROXY-, OCTAHYDRATE, (1.BETA.,3.BETA.,5.BETA.,11.ALPHA.)- | HMS1569O04 | Ouabain octahydrate | penta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate | 1-Methyl-4-piperidyl
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads,FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
50mg
G129536-50mg
3
59,90US$
250mg
G129536-250mg
2
175,90US$
1g
G129536-1g
1
489,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads,FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-1, 5, 11, 14, 19-PENTAHYDROXY-, OCTAHYDRATE, (1.BETA., 3.BETA., 5.BETA., 11.ALPHA.)- | HMS1569O04 | Ouabain octahydrate | penta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate | 1-Methyl-4-piperidyl
Especificaciones y pureza
Moligand™, ≥98%
Condiciones de almacenamiento de almacenamiento
Store at -20°C, Argon charged
Enviado en
Ice chest + Ice pads, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasCC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
IUPAC Name3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;octahydrate
InChIKeyTYBARJRCFHUHSN-DMJRSANLSA-N
INCHI1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1
Isómeros SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O
WGK Alemania 3
CAS alternativo 630-60-4
Número ONU 1544
Grupo de embalaje I
Peso molecular 728.77
Beilstein 101712

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
SubclassSteroid lactones
Intermediate Tree Nodes Cardenolides and derivatives
Direct ParentCardenolide glycosides and derivatives
Alternative Parents Steroidal glycosides  1-hydroxysteroids  11-alpha-hydroxysteroids  14-hydroxysteroids  Hexoses  O-glycosyl compounds  Oxanes  Butenolides  Tertiary alcohols  Enoate esters  Secondary alcohols  Cyclic alcohols and derivatives  Lactones  Oxacyclic compounds  Acetals  Monocarboxylic acids and derivatives  Polyols  Organic oxides  Primary alcohols  Carbonyl compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Cardanolide-glycoside - Steroidal glycoside - 19-hydroxysteroid - 1-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 11-hydroxysteroid - 11-alpha-hydroxysteroid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - 2-furanone - Monosaccharide - Oxane - Tertiary alcohol - Cyclic alcohol - Dihydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Alcohol - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeFechaArticulo
E2612306Certificate of AnalysisMay 07, 2026 G129536
E2612307Certificate of AnalysisMay 07, 2026 G129536
E2612308Certificate of AnalysisMay 07, 2026 G129536
G2523356Certificate of AnalysisJun 21, 2025 G129536
G2523357Certificate of AnalysisJun 21, 2025 G129536
G2523361Certificate of AnalysisJun 21, 2025 G129536
K1905057Certificate of AnalysisJun 08, 2023 G129536
Propiedades químicas y físicas
SolubilidadDMSO 146 mg/mL Water <1 mg/mL Ethanol 146 mg/mL
SensibilidadMoisture sensitive;Air sensitive
Punto de fusión (°C)260°C
Peso molecular728.800 g/mol
XLogP3
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count20
Rotatable Bond Count4
Exact Mass728.368 Da
Monoisotopic Mass728.368 Da
Topological Polar Surface Area215.000 Ų
Heavy Atom Count49
Formal Charge0
Complexity1080.000
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count9
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Guangpei Qi, Haixia Zou, Xiaohong Peng, Shiliang He, Qiqi Zhang, Wei Ye, Yizhou Jiang, Wentao Wang, Guangli Ren, Xiangmeng Qu.  (2023)  Metabolic Footprinting-Based DNA-AuNP Encoders for Extracellular Metabolic Response Profiling.  ANALYTICAL CHEMISTRY,      [PMID:37155931] [10.1021/acs.analchem.3c01109]
Calculadoras de soluciones
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