Harpagoside - 10mM in DMSO , CAS No.19210-12-9

CAS: 19210-12-9 Cat. No.: H580414 Formule: C₂₄H₃₀O₁₁ Poids moléculaire: 494.49 Numéro CE: 242-881-6 PubChem CID: 5281542

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Application： 

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Spécifications

Synonymes

EN300-7357122 | BSPBio_001055 | s9171 | AB00513986 | Q-100231 | AC-34268 | BPBio1_001161 | MLS002154086 | A880338 | CHEBI:5625 | Prestwick3_000988 | Harpagoside, analytical standard | HY-N0396 | DTXSID101032528 | HARPAGOSIDE [INCI] | Harpaside | NCGC00179

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Sourires canoniques

CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4

IUPAC Name

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate

InChIKey

KVRQGMOSZKPBNS-FMHLWDFHSA-N

INCHI

1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1

Isomères SMILES

C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4

WGK Allemagne

3

PubChem CID

5281542

Poids moléculaire

494.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Iridoid O-glycosides
• Alternative Parents: Cinnamic acid esters Hexoses O-glycosyl compounds Aromatic monoterpenoids Bicyclic monoterpenoids Iridoids and derivatives Styrenes Fatty acid esters Oxanes Enoate esters Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Iridoid o-glycoside - Cinnamic acid or derivatives - Hexose monosaccharide - Cinnamic acid ester - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Styrene - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Primary alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.
• External Descriptors: Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 494.500 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 494.179 Da
• Monoisotopic Mass: 494.179 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 811.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1