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6-O-p-Methoxycinnamoylcatalpol

$1,120

  • Brand : BIOFRON

  • Catalogue Number : BN-O0764

  • Specification : 98%(HPLC)

  • CAS number : 121710-02-9

  • Formula : C25H30O12

  • Molecular Weight : 522.5

  • PUBCHEM ID : 91895358

  • Volume : 5mg

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Catalogue Number

BN-O0764

Analysis Method

HPLC,NMR,MS

Specification

98%(HPLC)

Storage

-20℃

Molecular Weight

522.5

Appearance

Powder

Botanical Source

This product is isolated and purified from the herbs of Rehmannia glutinosa (Gaert.) Libosch. ex Fisch. et Mey.

Structure Type

Iridoids

Category

Standards;Natural Pytochemical;API

SMILES

COC1=CC=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O

Synonyms

2-Propenoic acid, 3-(4-methoxyphenyl)-, (1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E)-/(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(4-methoxyphenyl)acrylate

IUPAC Name

[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Density

1.5±0.1 g/cm3

Solubility

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

Flash Point

261.4±26.4 °C

Boiling Point

772.7±60.0 °C at 760 mmHg

Melting Point

InChl

InChI=1S/C25H30O12/c1-32-13-5-2-12(3-6-13)4-7-16(28)35-21-14-8-9-33-23(17(14)25(11-27)22(21)37-25)36-24-20(31)19(30)18(29)15(10-26)34-24/h2-9,14-15,17-24,26-27,29-31H,10-11H2,1H3/b7-4+/t14-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1

InChl Key

SYHPDMZDZYFZLU-WEWXOPRLSA-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#:121710-02-9) 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

30319789

Abstract

Manganese(II) acetate coordination polymers have been prepared with three derivatives of pyridine N-oxide. The compounds are catena-poly[manganese(II)-μ3-acetato-di-μ2-acetato-[aqua­manganese(II)]-μ2-acetato-μ-(pyridine N-oxide)-manganese(II)-μ3-acetato-μ2-acetato-μ-(pyridine N-oxide)-[aqua­manganese(II)]-di-μ2-acetato], [Mn4(CH3COO)8(C5H5NO)2(H2O)2]n, (I), catena-poly[[manganese(II)]-μ3-acetato-μ2-acetato-μ-(2-methyl­pyridine N-oxide)-[aqua­manganese(II)]-di-μ2-acetato-manganese(II)-di-μ2-acetato-μ3-acetato-[aqua­manganese(II)]-μ2-acetato-μ-(2-methyl­pyridine N-oxide)], [Mn4(CH3COO)8(C6H7NO)2(H2O)2]n, (II), and catena-poly[[manganese(II)-di-μ2-acetato-μ-(4-methyl­pyridine N-oxide)] monohydrate], {[Mn(CH3COO)2(C6H7NO)]·H2O}n, (III). Compounds (I) and (II) both have three unique Mn atoms; in both compounds two of them sit on a crystallographic inversion center while the third is on a general position. In compound (III), the single unique Mn atom sits on a general position. Pseudo-octa­hedral six-coordinate mangan­ese(II) centers are found in all compounds. All of the compounds form chains of Mn atoms bridged by acetate ions and the oxygen atom of the N-oxide in pyridine N-oxide (PNO), 2-methyl­pyridine N-oxide (2MePNO), or 4-methyl­pyridine N-oxide (4MePNO). Compound (I) and (II) both exhibit a bound water of solvation. In (I), the water hydrogen bonds to a nearby acetate whereas in (II) the water mol­ecule forms bridging hydrogen bonds between two neighboring acetates. In compound (III) a water mol­ecule of solvation is found in the lattice, not bound to the metal ion but hydrogen bonding to a bridging acetate.

KEYWORDS

crystal structure, manganese(II) acetate, pyridine N-oxide ligand, coordination polymer

Title

Structures of substituted pyridine N-oxide with manganese(II) acetate

Author

Will Lynch,a,* Genevieve Lynch,b Kirk Sheriff,a and Clifford Padgetta

Publish date

2018 Oct 1

PMID

15352873

Abstract

The orf6 gene from the clavulanic acid biosynthesis gene cluster encodes an OAT (ornithine acetyltransferase). Similar to other OATs the enzyme has been shown to catalyse the reversible transfer of an acetyl group from N-acetylornithine to glutamate. OATs are Ntn (N-terminal nucleophile) enzymes, but are distinct from the better-characterized Ntn hydrolase enzymes as they catalyse acetyl transfer rather than a hydrolysis reaction. In the present study, we describe the X-ray crystal structure of the OAT, corresponding to the orf6 gene product, to 2.8 a (1 a=0.1 nm) resolution. The larger domain of the structure consists of an αββα sandwich as in the structures of Ntn hydrolase enzymes. However, differences in the connectivity reveal that OATs belong to a structural family different from that of other structurally characterized Ntn enzymes, with one exception: unexpectedly, the αββα sandwich of ORF6 (where ORF stands for open reading frame) displays the same fold as an DmpA (l-aminopeptidase d-ala-esterase/amidase from Ochrobactrum anthropi), and so the OATs and DmpA form a new structural subfamily of Ntn enzymes. The structure reveals an α2β2-heterotetrameric oligomerization state in which the intermolecular interface partly defines the active site. Models of the enzyme-substrate complexes suggest a probable oxyanion stabilization mechanism as well as providing insight into how the enzyme binds its two differently charged substrates.

KEYWORDS

arginine biosynthesis, clavulanic acid, β-lactam antibiotic, N-terminal nucleophile hydrolase, ornithine acetyltransferase

Title

X-ray crystal structure of ornithine acetyltransferase from the clavulanic acid biosynthesis gene cluster

Author

Jonathan M. Elkins,1 Nadia J. Kershaw,1 and Christopher J. Schofield2

Publish date

2005 Jan 15;


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