Jujuboside B - ≥98%(HPLC) , CAS No.55466-05-2

CAS: 55466-05-2 Cat. No.: J464996 Formule: C₅₂H₈₄O₂₁ Poids moléculaire: 1045.21 Numéro CE: 683-207-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

AS-83578 | Jujuboside B | CCG-270616 | HY-N0660 | Q-100637 | AKOS025311225 | CHEBI:177644 | HMS3887M09 | Jujuboside B, >=98% (HPLC) | s9214 | C17832

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

Jujuboside B (JuB) is a saponin isolated from SemenZiziphus spinosa(SZS) used in Traditional Chinese Medicine.

Specifications

Synonymes

AS-83578 | Jujuboside B | CCG-270616 | HY-N0660 | Q-100637 | AKOS025311225 | CHEBI:177644 | HMS3887M09 | Jujuboside B, >=98% (HPLC) | s9214 | C17832

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)

Noms et identifiants

• Sourires canoniques: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)O)O)O)O)O)O
• IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• InChIKey: OAVAUZCEOWCYCC-QEOGCQCLSA-N
• INCHI: 1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1
• Isomères SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@](C[C@@H](O[C@@]78C[C@]6([C@@]5(CC[C@H]4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
• Poids moléculaire: 1045.21
• Reaxy-Rn: 38364687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38364687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Oligosaccharides Steroids and steroid derivatives Naphthopyrans O-glycosyl compounds Naphthalenes Ketals Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Oligosaccharide - Steroid - Naphthopyran - Glycosyl compound - O-glycosyl compound - Naphthalene - Ketal - Oxane - Pyran - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

AGS (1999 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 228-231°C
• Poids moléculaire: 1045.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 1044.55 Da
• Monoisotopic Mass: 1044.55 Da
• Topological Polar Surface Area: 315.000 Ų
• Heavy Atom Count: 73
• Formal Charge: 0
• Complexity: 2010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 29
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Mengzhu Chen, Jian Li, Shaodan Hu, Yuhan Wang, Keju Wang, Tan Wang.  (2025)  Jujuboside B Inhibits the Proliferation and Migration of Non-Small Cell Lung Cancer H1299 Cells Through Inhibiting PI3K/Akt and Wnt/β-Catenin Pathways.  Cancer Management and Research,      [PMID:40546438] [10.2147/CMAR.S526130]