Jujuboside A - ≥97%(HPLC) , CAS No.55466-04-1

CAS: 55466-04-1 Cat. No.: J464351 Summenformel: C₅₈H₉₄O₂₆ Molekulargewicht: 1207.35 EG-Nummer: 683-206-9

GRADE & PURITY ≥97%(HPLC)

Synonyms

PN3SW9GZ6X | alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]- | HY-N0

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Jujuboside A is a glycoside extracted from Semen Ziziphi Spinosae, a Chinese herbal medicine used to treat insomnia and anxiety.

Description

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

Specifications

Synonyme

PN3SW9GZ6X | alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]- | HY-N0

Spezifikationen & Reinheit

≥97%(HPLC)

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528775972
• Kanonisches Lächeln: CC(C)=C[C@@H](C[C@@]1(O)C)O[C@]2(OC3)[C@@]1([H])[C@@]4([H])CC[C@@]5([H])[C@@]([C@]43C2)(C)CC[C@@]6([H])C(C)(C)[C@@H](O[C@@](OC[C@@H]7O)([H])[C@H](O[C@]8([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O[C@@](O9)([H])[C@H](O[C@@]%10([H])[C@H](O)[C@@H](O)[C@H]
• IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-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: KVKRFLVYJLIZFD-OQVAHBRNSA-N
• INCHI: 1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51-,52-,54-,55+,56-,57-,58-/m0/s1
• Isomere 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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
• Molekulargewicht: 1207.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Air sensitive
• Schmelzpunkt (°C): 222-225°C
• Molekulargewicht: 1207.300 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 13
• Exact Mass: 1206.6 Da
• Monoisotopic Mass: 1206.6 Da
• Topological Polar Surface Area: 394.000 Ų
• Heavy Atom Count: 84
• Formal Charge: 0
• Complexity: 2330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 34
• 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

Referenzen

1. Zhen Zhang, Xinyue Che, Tingyu Feng, Juntao Zou, Guangpei Chen, Wenping Guo, Chunmei Ma, Haozhe Yuan, Jingying Chen, Xiaowu Xu.  (2025)  Jujuboside A improves insomnia by maintaining mitochondrial homeostasis in prefrontal neurons.  BRAIN RESEARCH BULLETIN,      [PMID:40334994] [10.1016/j.brainresbull.2025.111372]