Hosenkoside K - ≥98% , CAS No.160896-49-1

CAS: 160896-49-1 Cat. No.: H412879 Summenformel: C₅₄H₉₂O₂₅ Molekulargewicht: 1141.29 PubChem CID: 102004887

GRADE & PURITY ≥98%

Synonyms

β-​D-​Glucopyranoside,(1R,​2S,​4aR,​4bR,​6'S,​6aR,​7R,​8S,​10aR,​10bR,​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​-​6'-​[(1S)​-​2-​(β-​D-​glucopyranosyloxy)​-​1-​methylethyl]​octadecahydro-​1-​hydroxy-​4a,​4b,​7,​10a-​tetramethylspiro[chr​ysene-​2(1H)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Hosenkoside K is a bioactive baccharane glycoside isolated from the seeds of impatiens balsamina.

Specifications

Synonyme

β-​D-​Glucopyranoside,(1R,​2S,​4aR,​4bR,​6'S,​6aR,​7R,​8S,​10aR,​10bR,​12aS)​-​7-​[(β-​D-​glucopyranosyloxy)​methyl]​-​6'-​[(1S)​-​2-​(β-​D-​glucopyranosyloxy)​-​1-​methylethyl]​octadecahydro-​1-​hydroxy-​4a,​4b,​7,​10a-​tetramethylspiro[chr​ysene-​2(1H)

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Hosenkoside K is a bioactive baccharane glycoside isolated from the seeds of impatiens balsamina.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

ALogP

-3.447

HBD-Zahl

16

Rotationsfähige Bindung

15

Namen und Kennungen

Pubchem Sid

504772786

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772786

Kanonisches Lächeln

CC(COC1C(C(C(C(O1)CO)O)O)O)C2CCC3(CCC4(C(C3O)CCC5C4(CCC6C5(CCC(C6(C)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C)CO2

IUPAC Name

(2R,3R,4S,5S,6R)-2-[(2S)-2-[(1R,2S,2'S,4aR,4bR,6aR,7R,8S,10aR,10bR,12aS)-8-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxy-4a,4b,7,10a-tetramethyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1H-chrysene-2,5'-oxane]-2'-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

JWINIHBXRZXFKL-SGBJXWCQSA-N

INCHI

1S/C54H92O25/c1-23(20-71-46-41(67)37(63)33(59)26(16-55)74-46)25-8-13-54(22-72-25)15-14-52(4)24(45(54)70)6-7-31-50(2)11-10-32(51(3,30(50)9-12-53(31,52)5)21-73-47-42(68)38(64)34(60)27(17-56)75-47)78-49-44(40(66)36(62)29(19-58)77-49)79-48-43(69)39(65)35(61)28(18-57)76-48/h23-49,55-70H,6-22H2,1-5H3/t23-,24+,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+,53+,54+/m0/s1

Isomere SMILES

C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]2CC[C@@]3(CC[C@@]4([C@@H]([C@H]3O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H]([C@@]6(C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)CO2

PubChem CID

102004887

Molekulargewicht

1141.29

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: Steroids and steroid derivatives O-glycosyl compounds Disaccharides Oxanes Secondary alcohols Cyclic alcohols and derivatives Polyols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Triterpenoid - Steroid - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Cyclic alcohol - Secondary alcohol - Polyol - Ether - Acetal - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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

• Löslichkeit: Solubility (25°C) In vitro DMSO: 100 mg/mL (87.62 mM); Water: 100 mg/mL (87.62 mM); Ethanol: 50 mg/mL (43.81 mM)
• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 87.6201491294938
• Wasser (mg/ml) Maximale Löslichkeit: 100
• Wasser (mM) Maximale Löslichkeit: 87.6201491294938
• Molekulargewicht: 1141.300 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 15
• Exact Mass: 1140.59 Da
• Monoisotopic Mass: 1140.59 Da
• Topological Polar Surface Area: 407.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2020.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 32
• 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

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 160896-49-1, the molecular formula is C54H92O25, and the molecular weight is 1141.29 g/mol. InChIKey JWINIHBXRZXFKL-SGBJXWCQSA-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.