Epimedin B - analytical standard, ≥98% , CAS No.110623-73-9

CAS: 110623-73-9 Cat. No.: E117953 Formula: C₃₈H₄₈O₁₉ Peso molecolare: 808.78 PubChem CID: 5748393

QUALITÀ & PUREZZA Analytical standard, ≥98%

Synonyms

Epmedin B | Epimedin-B | s9268 | CCG-270501 | CHEBI:169048 | HY-N0259 | AKOS016002028 | Q-100061 | A894871 | MS-31497 | SCHEMBL3674180 | AC-6040 | EX-A6792 | 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

Product introduction

Epimedin B, a component extracted from Epimedii Folium, is reported to have antiosteoporotic activity. 

Specifiche

Sinonimi

Epmedin B | Epimedin-B | s9268 | CCG-270501 | CHEBI:169048 | HY-N0259 | AKOS016002028 | Q-100061 | A894871 | MS-31497 | SCHEMBL3674180 | AC-6040 | EX-A6792 | 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D

Specifiche e purezza

analytical standard, ≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508814510

Sorrisi canonici

CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O

IUPAC Name

3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

InChIKey

OCZZCFAOOWZSRX-LRHLXKJSSA-N

INCHI

1S/C38H48O19/c1-14(2)5-10-18-21(53-37-31(49)28(46)26(44)22(12-39)54-37)11-19(40)23-27(45)34(32(55-33(18)23)16-6-8-17(50-4)9-7-16)56-38-35(29(47)24(42)15(3)52-38)57-36-30(48)25(43)20(41)13-51-36/h5-9,11,15,20,22,24-26,28-31,35-44,46-49H,10,12-13H2,1-4H3/t15-,20+,22+,24-,25-,26+,28-,29+,30+,31+,35+,36-,37+,38-/m0/s1

Isomeri SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O

PubChem CID

5748393

Peso molecolare

808.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Flavonoids
      • Subclass Flavonoid glycosides
        • Level5 Flavonoid O-glycosides
          • Level6 Flavonoid-7-O-glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Flavonoid O-glycosides
• Direct Parent: Flavonoid-7-O-glycosides
• Alternative Parents: 8-prenylated flavones Flavonoid-3-O-glycosides 4'-O-methylated flavonoids 5-hydroxyflavonoids Phenolic glycosides Chromones Disaccharides O-glycosyl compounds Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-prenylated flavone - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Flavone - Hydroxyflavonoid - 5-hydroxyflavonoid - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxide - Organic oxygen compound - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 808.800 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 808.279 Da
• Monoisotopic Mass: 808.279 Da
• Topological Polar Surface Area: 293.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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