Yadanzioside A - ≥98% , CAS No.95258-15-4

CAS: 95258-15-4 Cat. No.: Y651479 Fórmula: C₃₂H₄₄O₁₆ Peso molecular: 684.68 PubChem CID: 72956

GRADE & PURITY ≥98%

Synonyms

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Yadanziolide A, a quassinoid glycoside from Brucea javanica , has antitumor activity.

Form:Solid

Specifications

Sinónimos

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Yadanziolide A, a quassinoid glycoside from Brucea javanica , has antitumor activity.

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)OC

IUPAC Name

methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate

InChIKey

QDQJWSSPAMZRIA-AIWMZPBQSA-N

INCHI

1S/C32H44O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h8,11-13,15-16,19-26,28,33,36-40H,6-7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32+/m0/s1

SMILES isoméricas

C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC

CAS alternativo

95258-15-4

PubChem CID

72956

Peso molecular

684.68

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Quassinoids
• Alternative Parents: Triterpenoids Naphthopyranone glycosides Fatty acyl glycosides of mono- and disaccharides Hexoses O-glycosyl compounds Naphthalenes Tricarboxylic acids and derivatives Furopyrans Beta hydroxy acids and derivatives Cyclohexenones Delta valerolactones Fatty acid esters Pyranones and derivatives Oxepanes Oxanes Methyl esters Furans Tetrahydrofurans Cyclic alcohols and derivatives Secondary alcohols Acetals Polyols Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Naphthopyranone glycoside - C-20 quassinoid skeleton - Quassinoid - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Naphthopyranone - Naphthopyran - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Cyclohexenone - Beta-hydroxy acid - Fatty acid ester - Pyranone - Oxepane - Delta valerolactone - Fatty acyl - Hydroxy acid - Monosaccharide - Pyran - Oxane - Tetrahydrofuran - Furan - Methyl ester - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Lactone - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Dialkyl ether - Ether - Acetal - Organic oxide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
• 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

Alvos associados (não humanos)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 50 mg/mL (73.03 mM; Need ultrasonic) Ethanol : 25 mg/mL (36.51 mM; Need ultrasonic)

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 95258-15-4, the molecular formula is C32H44O16, and the molecular weight is 684.68 g/mol. InChIKey QDQJWSSPAMZRIA-AIWMZPBQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.