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Erigeroside

$1,040

  • Brand : BIOFRON

  • Catalogue Number : BD-D1279

  • Specification : 98%(HPLC)

  • CAS number : 59219-76-0

  • Formula : C11H14O8 

  • Molecular Weight : 274.22

  • PUBCHEM ID : 162876

  • Volume : 20MG

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Catalogue Number

BD-D1279

Analysis Method

HPLC,NMR,MS

Specification

98%(HPLC)

Storage

2-8°C

Molecular Weight

274.22

Appearance

Powder

Botanical Source

Erigeron sp.

Structure Type

Category

Standards;Natural Pytochemical;API

SMILES

C1=COC=C(C1=O)OC2C(C(C(C(O2)CO)O)O)O

Synonyms

4-Oxo-4H-pyran-3-yl β-D-glucopyranoside/3-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)oxy)-4H-pyran-4-one/4H-Pyran-4-one, 3-(β-D-glucopyranosyloxy)-

IUPAC Name

3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one

Density

1.6±0.1 g/cm3

Solubility

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Flash Point

240.6±25.0 °C

Boiling Point

610.3±55.0 °C at 760 mmHg

Melting Point

196ºC

InChl

InChI=1S/C11H14O8/c12-3-6-8(14)9(15)10(16)11(18-6)19-7-4-17-2-1-5(7)13/h1-2,4,6,8-12,14-16H,3H2/t6-,8-,9+,10-,11+/m1/s1

InChl Key

QCBPBADGYXFZSW-ZHVGPZTNSA-N

WGK Germany

RID/ADR

HS Code Reference

2933990000

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:59219-76-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

18083614

Abstract

Erigeroside was extracted from Satureja khuzistanica Jamzad (Marzeh Khuzistani in Persian, family of lamiaceae), and (1)H, (13)C, (13)C{(1)H}, (1)H-(1)H COSY, HMQC and J-HMBC were obtained to identify this compound and determine a complete set of J-coupling constants ((1)J(C-H), (2)J(C-H), (3)J(C-H) and (3)J(H-H)) values within the exocyclic hydroxymethyl group (CH(2)OH) and anomeric center. In parallel, density functional theory (DFT) using B3LYP functional and split-valance 6-311++G** basis set has been used to optimized the structures and conformers of erigeroside. In all calculations solvent effects were considered using a polarized continuum (overlapping spheres) model (PCM). The dependencies of (1)J, (2)J and (3)J involving (1)H and (13)C on the C(5′)-C(6′) (omega), C(6′)-O(6′) (theta) and C(1′)-O(1′) (phi) torsion angles in erigeroside were computed using DFT method. Complete hyper surfaces for (1)J(C1′,H1′), (2)J(C5′,H6’R), (2)J(C5′,H6’S), (2)J(C6′,H5′), (3)J(C4′,H6’R), (3)J(C4′,H6’S) and (2)J(H6’R-H5’S) as well as (3)J(H5′,H6’R) were obtained and used to derive Karplus equations to correlate these couplings to omega, theta and phi. These calculated J-couplings are in agreement with experimental values. These results confirm the reliability of DFT calculated coupling constants in aqueous solution.

Title

Dynamic stereochemistry of erigeroside by measurement of 1H-1H and 13C-1H coupling constants.

Author

Tafazzoli M1, Ghiasi M, Moridi M.

Publish date

2008 Jul


Description :

Erigeroside is as a derivatives of -glucose extracted from Satureja khuzistanica Jamzad. Erigeroside has good ability of anti-oxidation and scavenging oxidation free radical[1].